(Indol-3-ylmethyl)-1,3-thiazol-2-ylamine
TL;DR: (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine (CAS 99989-79-4) is a chemical compound with molecular formula C12H11N3S and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-indol-3-ylmethyl)-1,3-thiazol-2-amine
Also Known As: indol-3-ylmethyl-thiazol-2-yl-amine, (indol-3-ylmethyl)-1,3-thiazol-2-ylamine, N-(2-Thiazolyl)-1H-indole-3-methaneamine, J3.290.552H, N-(1H-indol-3-ylmethyl)-1,3-thiazol-2-amine
| Molecular Formula | C12H11N3S |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.06737 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 99989-79-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CNC3=NC=CS3 |
| InChIKey | ZKZJXZJXGWJBIU-UHFFFAOYSA-N |
Product Overview
(Indol-3-ylmethyl)-1,3-thiazol-2-ylamine (CAS 99989-79-4), with molecular formula C12H11N3S and molecular weight 229.07 g/mol. IUPAC: N-(1H-indol-3-ylmethyl)-1,3-thiazol-2-amine.
Chemical Property Profile of (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine
Property Insights of (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine. Following Lipinski's Rule of Five, (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine has 2 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 (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine?
The CAS number of (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine is 99989-79-4.
What is the molecular formula of (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine?
The molecular formula of (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine is C12H11N3S.
What is the molecular weight of (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine?
The molecular weight of (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine is 229.07 g/mol.
Where can I buy (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine?
You can request a quote for (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine?
Yes, KEHONG BIO provides custom synthesis services for (Indol-3-ylmethyl)-1,3-thiazol-2-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.