![2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide structure](/static/products/5887/588711-98-2.webp)
2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
TL;DR: 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CAS 588711-98-2) is a chemical compound with molecular formula C20H18N6O2S3 and molecular weight 470.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
Also Known As: 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide, 2-[4-oxo-3-(4-pyridylmethyl)(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrim idin-2-ylthio)]-N-(1,3,4-thiadiazol-2-yl)acetamide, 2-{[3-OXO-4-(PYRIDIN-4-YLMETHYL)-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),5-TRIEN-5-YL]SULFANYL}-N-(1,3,4-THIADIAZOL-2-YL)ACETAMIDE, 2-{[4-oxo-3-(pyridin-4-ylmethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C20H18N6O2S3 |
|---|---|
| Molecular Weight | 470.07 g/mol |
| LogP | 3.3624 |
| Topological Polar Surface Area | 102.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.06534 |
| Heavy Atoms | 31 |
| Complexity | 1283.9889 |
Chemical Identifiers
| CAS Number | 588711-98-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=NC=C4)SCC(=O)NC5=NN=CS5 |
Product Overview
2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CAS 588711-98-2), with molecular formula C20H18N6O2S3 and molecular weight 470.07 g/mol. IUPAC: 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
Property Insights of 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
The XLogP value of 3.3624 indicates that 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The CAS number of 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is 588711-98-2.
What is the molecular formula of 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The molecular formula of 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is C20H18N6O2S3.
What is the molecular weight of 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The molecular weight of 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is 470.07 g/mol.
Where can I buy 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
You can request a quote for 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.