5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
TL;DR: 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CAS 113940-13-9) is a chemical compound with molecular formula C10H8ClN3OS and molecular weight 253.00766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Also Known As: 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide, 1,3,4-Thiadiazole-2-carboxamide, 5-(chloromethyl)-N-phenyl-, METHYL3-HYDROXYQUINUCLIDINE-3-CARBOXYLATE, 1,3,4-Thiadiazole-2-carboxamide,5-(chloromethyl)-N-phenyl-, [1,3,4]Thiadiazole-2-carboxylic acid, 5-chloromethyl-, phenylamide
Technical Specifications
| Molecular Formula | C10H8ClN3OS |
| Molecular Weight | 253.00766 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.00766 Da |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CCl |
| InChIKey | YZNYKYFTSIBGIU-UHFFFAOYSA-N |
Chemical Property Profile of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Property Insights of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide. Following Lipinski's Rule of Five, 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-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
What is the CAS number of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The CAS number of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide is 113940-13-9.
What is the molecular formula of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The molecular formula of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide is C10H8ClN3OS.
What is the molecular weight of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The molecular weight of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide is 253.00766 g/mol.
Where can I buy 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
You can request a quote for 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
Yes, CoreyChem provides custom synthesis services for 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.