N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide
TL;DR: N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide (CAS 126612-52-0) is a chemical compound with molecular formula C12H9FN6OS2 and molecular weight 336.02634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diaminomethylideneamino)-N-(5-fluoro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
Also Known As: 5-Fbgt, N-(5-Fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide, 2-(diaminomethylideneamino)-N-(5-fluoro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide, 2-Carbamimidamido-N-(5-fluoro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide, 2-((Aminoiminomethyl)amino)-N-(5-fluoro-2-benzothiazolyl)-4-thiazolecarboxamide
Technical Specifications
| Molecular Formula | C12H9FN6OS2 |
| Molecular Weight | 336.02634 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.02634 Da |
| Heavy Atoms | 22 |
| Complexity | 463.0 |
| SMILES | C1=CC2=C(C=C1F)N=C(S2)NC(=O)C3=CSC(=N3)N=C(N)N |
| InChIKey | MCYWZNLJNZNGAJ-UHFFFAOYSA-N |
Chemical Property Profile of N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide
Property Insights of N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide. The TPSA of 176.0 Ų indicates high polarity, suggesting N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide?
The CAS number of N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide is 126612-52-0.
What is the molecular formula of N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide?
The molecular formula of N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide is C12H9FN6OS2.
What is the molecular weight of N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide?
The molecular weight of N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide is 336.02634 g/mol.
Where can I buy N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide?
You can request a quote for N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-(5-fluorobenzothiazol-2-yl)-2-guanidinothiazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.