N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine
TL;DR: N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine (CAS 40513-14-2) is a chemical compound with molecular formula C13H15ClN2S and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2-amine
Also Known As: 2-Benzylamino-5-(2-chloroethyl)-4-methylthiazole, Thiazole, 2-(benzylamino)-5-(2-chloroethyl)-4-methyl-, n-benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2-amine, 2-Thiazolamine, 5-(2-chloroethyl)-4-methyl-N-(phenylmethyl)-, N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine
| Molecular Formula | C13H15ClN2S |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.06445 |
| Heavy Atoms | 17 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 40513-14-2 |
|---|---|
| SMILES | CC1=C(SC(=N1)NCC2=CC=CC=C2)CCCl |
| InChIKey | ADWJRLWNBKRIBE-UHFFFAOYSA-N |
Product Overview
N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine (CAS 40513-14-2), with molecular formula C13H15ClN2S and molecular weight 266.06 g/mol. IUPAC: N-benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2-amine.
Chemical Property Profile of N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine
Property Insights of N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine
The XLogP value of 4.1 indicates that N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.2 Ų, N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine 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-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine?
The CAS number of N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine is 40513-14-2.
What is the molecular formula of N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine?
The molecular formula of N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine is C13H15ClN2S.
What is the molecular weight of N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine?
The molecular weight of N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine is 266.06 g/mol.
Where can I buy N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine?
You can request a quote for N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2(3H)-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.