5-methyl-2-phenyl-1,2-thiazol-3-one

C10H9NOS — CID 44564011

IUPAC5-methyl-2-phenyl-1,2-thiazol-3-one
SMILESCc1cc(=O)n(-c2ccccc2)s1
InChIInChI=1S/C10H9NOS/c1-8-7-10(12)11(13-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyHDZOSEIWORKVCL-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.21
Rot. Bonds1

About 5-methyl-2-phenyl-1,2-thiazol-3-one

5-methyl-2-phenyl-1,2-thiazol-3-one (PubChem CID 44564011) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-methyl-2-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-1,2-thiazol-3-one
PubChem CID44564011
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name5-methyl-2-phenyl-1,2-thiazol-3-one
SMILESCc1cc(=O)n(-c2ccccc2)s1
InChIInChI=1S/C10H9NOS/c1-8-7-10(12)11(13-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyHDZOSEIWORKVCL-UHFFFAOYSA-N
XLogP2.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-phenyl-1,2-thiazol-3-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 5-methyl-2-phenyl-1,2-thiazol-3-one?
The IUPAC name of 5-methyl-2-phenyl-1,2-thiazol-3-one (CID 44564011) is 5-methyl-2-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 5-methyl-2-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 5-methyl-2-phenyl-1,2-thiazol-3-one is Cc1cc(=O)n(-c2ccccc2)s1.
What is the InChIKey of 5-methyl-2-phenyl-1,2-thiazol-3-one?
The InChIKey is HDZOSEIWORKVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-8-7-10(12)11(13-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 5-methyl-2-phenyl-1,2-thiazol-3-one?
5-methyl-2-phenyl-1,2-thiazol-3-one has a molecular weight of 191.25 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 44564011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).