4,5-dimethyl-3H-1,3-thiazol-2-one

C5H7NOS — CID 22087334

IUPAC4,5-dimethyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1C
InChIInChI=1S/C5H7NOS/c1-3-4(2)8-5(7)6-3/h1-2H3,(H,6,7)
InChIKeyIPDFOEVQPAUJHG-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.05
Rot. Bonds

About 4,5-dimethyl-3H-1,3-thiazol-2-one

4,5-dimethyl-3H-1,3-thiazol-2-one (PubChem CID 22087334) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 4,5-dimethyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3H-1,3-thiazol-2-one
PubChem CID22087334
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name4,5-dimethyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1C
InChIInChI=1S/C5H7NOS/c1-3-4(2)8-5(7)6-3/h1-2H3,(H,6,7)
InChIKeyIPDFOEVQPAUJHG-UHFFFAOYSA-N
XLogP1.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-3H-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

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4,5-dimethyl-3H-1,3-thiazol-2-one (CID 22087334) is 4,5-dimethyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4,5-dimethyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1C.
What is the InChIKey of 4,5-dimethyl-3H-1,3-thiazol-2-one?
The InChIKey is IPDFOEVQPAUJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-3-4(2)8-5(7)6-3/h1-2H3,(H,6,7).
What are the key properties of 4,5-dimethyl-3H-1,3-thiazol-2-one?
4,5-dimethyl-3H-1,3-thiazol-2-one has a molecular weight of 129.18 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 22087334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).