3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one

C7H7N3OS — CID 103125046

IUPAC3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one
SMILESCc1csc(-n2cc[nH]c2=O)n1
InChIInChI=1S/C7H7N3OS/c1-5-4-12-7(9-5)10-3-2-8-6(10)11/h2-4H,1H3,(H,8,11)
InChIKeyMKVZIMHUILKWTO-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.93
Rot. Bonds1

About 3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one

3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one (PubChem CID 103125046) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one
PubChem CID103125046
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one
SMILESCc1csc(-n2cc[nH]c2=O)n1
InChIInChI=1S/C7H7N3OS/c1-5-4-12-7(9-5)10-3-2-8-6(10)11/h2-4H,1H3,(H,8,11)
InChIKeyMKVZIMHUILKWTO-UHFFFAOYSA-N
XLogP0.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one 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 3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one (CID 103125046) is 3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one is Cc1csc(-n2cc[nH]c2=O)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one?
The InChIKey is MKVZIMHUILKWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-5-4-12-7(9-5)10-3-2-8-6(10)11/h2-4H,1H3,(H,8,11).
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one?
3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one has a molecular weight of 181.22 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one is sourced from PubChem (CID 103125046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).