N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine
TL;DR: N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine (CAS 866154-98-5) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methyl-4-propan-2-ylphenyl)-5-nitro-1,3-thiazol-2-amine
Also Known As: N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine, N-(3-methyl-4-propan-2-ylphenyl)-5-nitro-1,3-thiazol-2-amine, N-[3-methyl-4-(propan-2-yl)phenyl]-5-nitro-1,3-thiazol-2-amine
| Molecular Formula | C13H15N3O2S |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 4.22672 |
| Topological Polar Surface Area | 68.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.0885 |
| Heavy Atoms | 19 |
| Complexity | 607.68585 |
Chemical Identifiers
| CAS Number | 866154-98-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC2=NC=C(S2)[N+](=O)[O-])C(C)C |
Product Overview
N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine (CAS 866154-98-5), with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol. IUPAC: N-(3-methyl-4-propan-2-ylphenyl)-5-nitro-1,3-thiazol-2-amine.
Chemical Property Profile of N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine
Property Insights of N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine
The XLogP value of 4.22672 indicates that N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine. Following Lipinski's Rule of Five, N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine has 1 hydrogen bond donor(s) and 5 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-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine?
The CAS number of N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine is 866154-98-5.
What is the molecular formula of N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine?
The molecular formula of N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine is C13H15N3O2S.
What is the molecular weight of N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine?
The molecular weight of N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine is 277.09 g/mol.
Where can I buy N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine?
You can request a quote for N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-isopropyl-3-methylphenyl)-5-nitro-1,3-thiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.