3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one

C15H13BrN2OS — CID 3057291

IUPAC3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2OS/c16-12-6-8-13(9-7-12)17-18-14(19)10-20-15(18)11-4-2-1-3-5-11/h1-9,15,17H,10H2
InChIKeyXHXPBTBIVOETMS-UHFFFAOYSA-N
MW349.25 g/mol
LogP4.05
Rot. Bonds3

About 3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one

3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 3057291) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID3057291
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2OS/c16-12-6-8-13(9-7-12)17-18-14(19)10-20-15(18)11-4-2-1-3-5-11/h1-9,15,17H,10H2
InChIKeyXHXPBTBIVOETMS-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-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

1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea
CID 1268838
(2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one
CID 1240458
3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 70682750
(2R)-2-(4-bromophenyl)-3-(2-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 27566937
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
4-(4-bromophenyl)-2-phenylthiomorpholine-3,5-dione
CID 4256640
S-(1,3-benzothiazol-2-yl) 2-[[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]ethanethioate
CID 11340585
2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one
CID 155927281
N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide
CID 45028423
2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 11664742
(2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 690197
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one (CID 3057291) is 3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2)N1Nc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is XHXPBTBIVOETMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c16-12-6-8-13(9-7-12)17-18-14(19)10-20-15(18)11-4-2-1-3-5-11/h1-9,15,17H,10H2.
What are the key properties of 3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one?
3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 349.25 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3057291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).