2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole
TL;DR: 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole (CAS 258261-45-9) is a chemical compound with molecular formula C11H9N3S and molecular weight 215.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole
Also Known As: 2-(3H-imidazol-4-ylmethyl)benzothiazole, 2-(1H-imidazol-4-ylmethyl)-1,3-benzothiazole, Benzothiazole, 2-(1H-imidazol-4-ylmethyl)- (9CI)
| Molecular Formula | C11H9N3S |
|---|---|
| Molecular Weight | 215.05 g/mol |
| LogP | 2.6102 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.05171 |
| Heavy Atoms | 15 |
| Complexity | 535.31525 |
Chemical Identifiers
| CAS Number | 258261-45-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CC3=CN=CN3 |
Product Overview
2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole (CAS 258261-45-9), with molecular formula C11H9N3S and molecular weight 215.05 g/mol. IUPAC: 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole
Property Insights of 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole
The XLogP value of 2.6102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole. With a topological polar surface area (TPSA) of 41.57 Ų, 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole 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 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole?
The CAS number of 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole is 258261-45-9.
What is the molecular formula of 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole?
The molecular formula of 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole is C11H9N3S.
What is the molecular weight of 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole?
The molecular weight of 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole is 215.05 g/mol.
Where can I buy 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole?
You can request a quote for 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.