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

C8H9N3S — CID 173053610

IUPAC4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole
SMILESCc1csc(-c2cn(C)cn2)n1
InChIInChI=1S/C8H9N3S/c1-6-4-12-8(10-6)7-3-11(2)5-9-7/h3-5H,1-2H3
InChIKeyNAYGJYZLBUAYTG-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.85
Rot. Bonds1

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

4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole (PubChem CID 173053610) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole
PubChem CID173053610
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole
SMILESCc1csc(-c2cn(C)cn2)n1
InChIInChI=1S/C8H9N3S/c1-6-4-12-8(10-6)7-3-11(2)5-9-7/h3-5H,1-2H3
InChIKeyNAYGJYZLBUAYTG-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 4-methyl-2-(1-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 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole (CID 173053610) is 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole is Cc1csc(-c2cn(C)cn2)n1.
What is the InChIKey of 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole?
The InChIKey is NAYGJYZLBUAYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-6-4-12-8(10-6)7-3-11(2)5-9-7/h3-5H,1-2H3.
What are the key properties of 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole?
4-methyl-2-(1-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 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 173053610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).