N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine
TL;DR: N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine (CAS 887573-72-0) is a chemical compound with molecular formula C14H13N3S and molecular weight 255.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline
Also Known As: N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine, 4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline, AO-095/42800759, 4-[(3-methyl-3-hydrobenzothiazol-2-ylidene)azamethyl]phenylamine
| Molecular Formula | C14H13N3S |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | 3.0544 |
| Topological Polar Surface Area | 43.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.08302 |
| Heavy Atoms | 18 |
| Complexity | 750.5552 |
Chemical Identifiers
| CAS Number | 887573-72-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=NC3=CC=C(C=C3)N |
Product Overview
N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine (CAS 887573-72-0), with molecular formula C14H13N3S and molecular weight 255.08 g/mol. IUPAC: 4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline.
Chemical Property Profile of N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine
Property Insights of N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine
The XLogP value of 3.0544 indicates that N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.31 Ų, N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine 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 N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine?
The CAS number of N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine is 887573-72-0.
What is the molecular formula of N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine?
The molecular formula of N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine is C14H13N3S.
What is the molecular weight of N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine?
The molecular weight of N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine is 255.08 g/mol.
Where can I buy N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine?
You can request a quote for N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)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-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-aminophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.