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

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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).