4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
TL;DR: 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide (CAS 849912-25-0) is a chemical compound with molecular formula C12H12FN3OS2 and molecular weight 297.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-[(4-fluorophenyl)methyl]-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Also Known As: 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide, 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydrothiazole-5-carboxamide, 4-amino-N-[(4-fluorophenyl)methyl]-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
| Molecular Formula | C12H12FN3OS2 |
|---|---|
| Molecular Weight | 297.04 g/mol |
| LogP | 2.46739 |
| Topological Polar Surface Area | 60.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0406 |
| Heavy Atoms | 19 |
| Complexity | 660.6043 |
Chemical Identifiers
| CAS Number | 849912-25-0 |
|---|---|
| SMILES | CN1C(=C(SC1=S)C(=O)NCC2=CC=C(C=C2)F)N |
Product Overview
4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide (CAS 849912-25-0), with molecular formula C12H12FN3OS2 and molecular weight 297.04 g/mol. IUPAC: 4-amino-N-[(4-fluorophenyl)methyl]-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.
Chemical Property Profile of 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Property Insights of 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
The XLogP value of 2.46739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide. The TPSA of 60.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide. Following Lipinski's Rule of Five, 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide has 2 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 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The CAS number of 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is 849912-25-0.
What is the molecular formula of 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The molecular formula of 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is C12H12FN3OS2.
What is the molecular weight of 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The molecular weight of 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is 297.04 g/mol.
Where can I buy 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
You can request a quote for 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.