2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol

C9H11N3OS — CID 18324410

IUPAC2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol
SMILESCn1cncc1CC(O)c1nccs1
InChIInChI=1S/C9H11N3OS/c1-12-6-10-5-7(12)4-8(13)9-11-2-3-14-9/h2-3,5-6,8,13H,4H2,1H3
InChIKeyYJIINLIMESKNJB-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.15
Rot. Bonds3

About 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol

2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 18324410) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol
PubChem CID18324410
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol
SMILESCn1cncc1CC(O)c1nccs1
InChIInChI=1S/C9H11N3OS/c1-12-6-10-5-7(12)4-8(13)9-11-2-3-14-9/h2-3,5-6,8,13H,4H2,1H3
InChIKeyYJIINLIMESKNJB-UHFFFAOYSA-N
XLogP1.15
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol (CID 18324410) is 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol is Cn1cncc1CC(O)c1nccs1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is YJIINLIMESKNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-12-6-10-5-7(12)4-8(13)9-11-2-3-14-9/h2-3,5-6,8,13H,4H2,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol?
2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol has a molecular weight of 209.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 18324410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).