5-Isothiazolecarboxamide
TL;DR: 5-Isothiazolecarboxamide (CAS 3683-98-5) is a chemical compound with molecular formula C4H4N2OS and molecular weight 128.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-thiazole-5-carboxamide
Also Known As: 5-Isothiazolecarboxamide, 1,2-thiazole-5-carboxamide, isothiazole-5-carboxamide, 5-carboxamidoisothiazole, isothiazole-5-carboxylic acid amide
| Molecular Formula | C4H4N2OS |
|---|---|
| Molecular Weight | 128.00 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.00444 |
| Heavy Atoms | 8 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 3683-98-5 |
|---|---|
| SMILES | C1=C(SN=C1)C(=O)N |
| InChIKey | RNSKZDUUNLMFJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Isothiazolecarboxamide (CAS 3683-98-5), with molecular formula C4H4N2OS and molecular weight 128.00 g/mol. IUPAC: 1,2-thiazole-5-carboxamide.
Chemical Property Profile of 5-Isothiazolecarboxamide
Property Insights of 5-Isothiazolecarboxamide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isothiazolecarboxamide. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Isothiazolecarboxamide. Following Lipinski's Rule of Five, 5-Isothiazolecarboxamide has 1 hydrogen bond donor(s) and 3 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 5-Isothiazolecarboxamide?
The CAS number of 5-Isothiazolecarboxamide is 3683-98-5.
What is the molecular formula of 5-Isothiazolecarboxamide?
The molecular formula of 5-Isothiazolecarboxamide is C4H4N2OS.
What is the molecular weight of 5-Isothiazolecarboxamide?
The molecular weight of 5-Isothiazolecarboxamide is 128.00 g/mol.
Where can I buy 5-Isothiazolecarboxamide?
You can request a quote for 5-Isothiazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isothiazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Isothiazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.