4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one

C7H9NO2S — CID 43286829

IUPAC4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC1CO1
InChIInChI=1S/C7H9NO2S/c1-5-4-11-7(9)8(5)2-6-3-10-6/h4,6H,2-3H2,1H3
InChIKeyUJCNSODDAODUQJ-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.62
Rot. Bonds2

About 4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one

4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one (PubChem CID 43286829) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one
PubChem CID43286829
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC1CO1
InChIInChI=1S/C7H9NO2S/c1-5-4-11-7(9)8(5)2-6-3-10-6/h4,6H,2-3H2,1H3
InChIKeyUJCNSODDAODUQJ-UHFFFAOYSA-N
XLogP0.62
TPSA34.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-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

Related Compounds

3-(2-Hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 60884269
4,5-Dimethyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one
CID 63312242
4,5-dimethyl-3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one
CID 130493070
4-Methyl-3-[2-(oxiran-2-yl)ethyl]-1,3-thiazol-2-one
CID 130575450
3-(2-Methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one
CID 131086248

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one (CID 43286829) is 4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one is Cc1csc(=O)n1CC1CO1.
What is the InChIKey of 4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one?
The InChIKey is UJCNSODDAODUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5-4-11-7(9)8(5)2-6-3-10-6/h4,6H,2-3H2,1H3.
What are the key properties of 4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one?
4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one has a molecular weight of 171.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 43286829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).