N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
TL;DR: N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide (CAS 893331-15-2) is a chemical compound with molecular formula C16H18N4O4S2 and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
Also Known As: N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide, N-[5-({[(3,4-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide, N-[5-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
| Molecular Formula | C16H18N4O4S2 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 2.6346 |
| Topological Polar Surface Area | 102.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.07693 |
| Heavy Atoms | 26 |
| Complexity | 807.2975 |
Chemical Identifiers
| CAS Number | 893331-15-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CC3)OC |
Product Overview
N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide (CAS 893331-15-2), with molecular formula C16H18N4O4S2 and molecular weight 394.08 g/mol. IUPAC: N-[5-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
Chemical Property Profile of N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
Property Insights of N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
The XLogP value of 2.6346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide. The TPSA of 102.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide. Following Lipinski's Rule of Five, N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide has 2 hydrogen bond donor(s) and 8 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 N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
The CAS number of N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide is 893331-15-2.
What is the molecular formula of N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
The molecular formula of N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide is C16H18N4O4S2.
What is the molecular weight of N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
The molecular weight of N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide is 394.08 g/mol.
Where can I buy N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
You can request a quote for N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.