1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine
TL;DR: 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine (CAS 90004-46-9) is a chemical compound with molecular formula C8H7N3S and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine
Also Known As: N-[(E)-pyrrol-2-ylidenemethyl]-1,3-thiazol-2-amine
| Molecular Formula | C8H7N3S |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.03607 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 90004-46-9 |
|---|---|
| SMILES | C1=CNC(=C1)C=NC2=NC=CS2 |
| InChIKey | IFTXGTLSJDAGTN-UHFFFAOYSA-N |
Product Overview
1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine (CAS 90004-46-9), with molecular formula C8H7N3S and molecular weight 177.04 g/mol. IUPAC: 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine.
Chemical Property Profile of 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine
Property Insights of 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine. Following Lipinski's Rule of Five, 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine 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 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine?
The CAS number of 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine is 90004-46-9.
What is the molecular formula of 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine?
The molecular formula of 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine is C8H7N3S.
What is the molecular weight of 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine?
The molecular weight of 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine is 177.04 g/mol.
Where can I buy 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine?
You can request a quote for 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.