5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole

C8H9N3S — CID 91114933

IUPAC5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole
SMILESCc1cnc(-c2cncn2C)s1
InChIInChI=1S/C8H9N3S/c1-6-3-10-8(12-6)7-4-9-5-11(7)2/h3-5H,1-2H3
InChIKeyFHSIIQAYEXPORH-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.85
Rot. Bonds1

About 5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole

5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole (PubChem CID 91114933) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole
PubChem CID91114933
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole
SMILESCc1cnc(-c2cncn2C)s1
InChIInChI=1S/C8H9N3S/c1-6-3-10-8(12-6)7-4-9-5-11(7)2/h3-5H,1-2H3
InChIKeyFHSIIQAYEXPORH-UHFFFAOYSA-N
XLogP1.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole 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 5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole (CID 91114933) is 5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole is Cc1cnc(-c2cncn2C)s1.
What is the InChIKey of 5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole?
The InChIKey is FHSIIQAYEXPORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-6-3-10-8(12-6)7-4-9-5-11(7)2/h3-5H,1-2H3.
What are the key properties of 5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole?
5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole has a molecular weight of 179.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylimidazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 91114933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).