methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
TL;DR: methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate (CAS 573974-92-2) is a chemical compound with molecular formula C16H15N5O4S2 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate, F3111-1178, methyl 2-[({[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate, methyl 2-[[2-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, methyl 2-{2-[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-ylthio]ac etylamino}benzoate
| Molecular Formula | C16H15N5O4S2 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 2.60112 |
| Topological Polar Surface Area | 133.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.05655 |
| Heavy Atoms | 27 |
| Complexity | 984.8584 |
Chemical Identifiers
| CAS Number | 573974-92-2 |
|---|---|
| SMILES | CC1=C(SC(=N1)N)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate (CAS 573974-92-2), with molecular formula C16H15N5O4S2 and molecular weight 405.06 g/mol. IUPAC: methyl 2-[[2-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
Property Insights of methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
The XLogP value of 2.60112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate. The TPSA of 133.23 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate has 2 hydrogen bond donor(s) and 10 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 methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
The CAS number of methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate is 573974-92-2.
What is the molecular formula of methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
The molecular formula of methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate is C16H15N5O4S2.
What is the molecular weight of methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
The molecular weight of methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate is 405.06 g/mol.
Where can I buy methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
You can request a quote for methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-((5-(2-amino-4-methylthiazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.