3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide
TL;DR: 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide (CAS 391868-57-8) is a chemical compound with molecular formula C18H13ClN6O3S3 and molecular weight 491.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-5-methyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
Also Known As: 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide, 3-(2-chlorophenyl)-5-methyl-N-[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide, F0470-0003, 3-(2-chlorophenyl)-5-methyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
| Molecular Formula | C18H13ClN6O3S3 |
|---|---|
| Molecular Weight | 491.99 g/mol |
| LogP | 4.59452 |
| Topological Polar Surface Area | 122.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.99 |
| Heavy Atoms | 31 |
| Complexity | 1224.1031 |
Chemical Identifiers
| CAS Number | 391868-57-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NN=C(S3)SCC(=O)NC4=NC=CS4 |
Product Overview
3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide (CAS 391868-57-8), with molecular formula C18H13ClN6O3S3 and molecular weight 491.99 g/mol. IUPAC: 3-(2-chlorophenyl)-5-methyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide
Property Insights of 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide
The XLogP value of 4.59452 indicates that 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide 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 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide?
The CAS number of 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide is 391868-57-8.
What is the molecular formula of 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide?
The molecular formula of 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide is C18H13ClN6O3S3.
What is the molecular weight of 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide?
The molecular weight of 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide is 491.99 g/mol.
Where can I buy 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide?
You can request a quote for 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorophenyl)-5-methyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)isoxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.