2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one

C13H15NO2S — CID 69403526

IUPAC2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one
SMILESCCCCn1sc(-c2ccccc2)c(O)c1=O
InChIInChI=1S/C13H15NO2S/c1-2-3-9-14-13(16)11(15)12(17-14)10-7-5-4-6-8-10/h4-8,15H,2-3,9H2,1H3
InChIKeyCZHSGZZDRJHYOR-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.08
Rot. Bonds4

About 2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one

2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one (PubChem CID 69403526) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one
PubChem CID69403526
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one
SMILESCCCCn1sc(-c2ccccc2)c(O)c1=O
InChIInChI=1S/C13H15NO2S/c1-2-3-9-14-13(16)11(15)12(17-14)10-7-5-4-6-8-10/h4-8,15H,2-3,9H2,1H3
InChIKeyCZHSGZZDRJHYOR-UHFFFAOYSA-N
XLogP3.08
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butyl-4-hydroxy-5-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 2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one (CID 69403526) is 2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one is CCCCn1sc(-c2ccccc2)c(O)c1=O.
What is the InChIKey of 2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one?
The InChIKey is CZHSGZZDRJHYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-2-3-9-14-13(16)11(15)12(17-14)10-7-5-4-6-8-10/h4-8,15H,2-3,9H2,1H3.
What are the key properties of 2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one?
2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one has a molecular weight of 249.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 69403526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).