![ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate structure](/static/products/7745/774561-19-2.webp)
ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
TL;DR: ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CAS 774561-19-2) is a chemical compound with molecular formula C18H20N6O4S3 and molecular weight 480.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-ethoxycarbonyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-((5-(ethoxycarbonyl)-4-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)pyrimidin-2-yl)amino)-4-methylthiazole-5-carboxylate, ethyl 2-({5-(ethoxycarbonyl)-4-[(5-methyl(1,3,4-thiadiazol-2-ylthio))methyl]py rimidin-2-yl}amino)-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-[[5-ethoxycarbonyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
| Molecular Formula | C18H20N6O4S3 |
|---|---|
| Molecular Weight | 480.07 g/mol |
| LogP | 3.79074 |
| Topological Polar Surface Area | 129.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.07083 |
| Heavy Atoms | 31 |
| Complexity | 1084.187 |
Chemical Identifiers
| CAS Number | 774561-19-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1CSC2=NN=C(S2)C)NC3=NC(=C(S3)C(=O)OCC)C |
Product Overview
ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CAS 774561-19-2), with molecular formula C18H20N6O4S3 and molecular weight 480.07 g/mol. IUPAC: ethyl 2-[[5-ethoxycarbonyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Property Insights of ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
The XLogP value of 3.79074 indicates that ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The CAS number of ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is 774561-19-2.
What is the molecular formula of ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The molecular formula of ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is C18H20N6O4S3.
What is the molecular weight of ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The molecular weight of ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is 480.07 g/mol.
Where can I buy ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
You can request a quote for ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(5-(ethoxycarbonyl)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-pyrimidinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.