N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide
TL;DR: N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide (CAS 330189-20-3) is a chemical compound with molecular formula C13H9N3O3S2 and molecular weight 319.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide
Also Known As: N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide, N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitro-2-thiophenecarboxamide, N-(2-methylbenzo[d]thiazol-5-yl)-5-nitrothiophene-2-carboxamide, N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitro-thiophene-2-carboxamide
| Molecular Formula | C13H9N3O3S2 |
|---|---|
| Molecular Weight | 319.01 g/mol |
| LogP | 3.82672 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.00854 |
| Heavy Atoms | 21 |
| Complexity | 853.34375 |
Chemical Identifiers
| CAS Number | 330189-20-3 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide (CAS 330189-20-3), with molecular formula C13H9N3O3S2 and molecular weight 319.01 g/mol. IUPAC: N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide.
Chemical Property Profile of N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide
Property Insights of N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide
The XLogP value of 3.82672 indicates that N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 6 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-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide?
The CAS number of N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide is 330189-20-3.
What is the molecular formula of N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide?
The molecular formula of N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide is C13H9N3O3S2.
What is the molecular weight of N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide?
The molecular weight of N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide is 319.01 g/mol.
Where can I buy N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide?
You can request a quote for N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methyl-1,3-benzothiazol-5-yl)-5-nitrothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.