2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one

C21H24N2O3S — CID 11646690

IUPAC2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one
SMILESCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C21H24N2O3S/c1-2-3-16-23-21(24)19(22-15-14-17-10-6-4-7-11-17)20(27(23,25)26)18-12-8-5-9-13-18/h4-13,22H,2-3,14-16H2,1H3
InChIKeyOIXDOZGOOFMRGB-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.16
Rot. Bonds8

About 2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one

2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one (PubChem CID 11646690) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one
PubChem CID11646690
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one
SMILESCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C21H24N2O3S/c1-2-3-16-23-21(24)19(22-15-14-17-10-6-4-7-11-17)20(27(23,25)26)18-12-8-5-9-13-18/h4-13,22H,2-3,14-16H2,1H3
InChIKeyOIXDOZGOOFMRGB-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-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-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one?
The IUPAC name of 2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one (CID 11646690) is 2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one.
What is the SMILES notation for 2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one?
The canonical SMILES for 2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one is CCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one?
The InChIKey is OIXDOZGOOFMRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-2-3-16-23-21(24)19(22-15-14-17-10-6-4-7-11-17)20(27(23,25)26)18-12-8-5-9-13-18/h4-13,22H,2-3,14-16H2,1H3.
What are the key properties of 2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one?
2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one has a molecular weight of 384.50 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one is sourced from PubChem (CID 11646690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).