N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
TL;DR: N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide (CAS 69636-12-0) is a chemical compound with molecular formula C11H10ClN3OS and molecular weight 267.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
Also Known As: N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide, 1,2,3-Thiadiazole-5-carboxamide, N-[(4-chlorophenyl)methyl]-4-methyl-, N-[(4-CHLOROPHENYL)METHYL]-4-METHYL-1,2,3-THIADIAZOLE-5-CARBOXAMIDE, N-[(4-chlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
| Molecular Formula | C11H10ClN3OS |
|---|---|
| Molecular Weight | 267.02 g/mol |
| LogP | 2.42992 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.02332 |
| Heavy Atoms | 17 |
| Complexity | 523.76776 |
Chemical Identifiers
| CAS Number | 69636-12-0 |
|---|---|
| SMILES | CC1=C(SN=N1)C(=O)NCC2=CC=C(C=C2)Cl |
Product Overview
N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide (CAS 69636-12-0), with molecular formula C11H10ClN3OS and molecular weight 267.02 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide.
Chemical Property Profile of N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
Property Insights of N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
The XLogP value of 2.42992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide. With a topological polar surface area (TPSA) of 54.88 Ų, N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide has 1 hydrogen bond donor(s) and 4 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-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
The CAS number of N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide is 69636-12-0.
What is the molecular formula of N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
The molecular formula of N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide is C11H10ClN3OS.
What is the molecular weight of N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
The molecular weight of N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide is 267.02 g/mol.
Where can I buy N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
You can request a quote for N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.