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

C15H12BrNOS — CID 4232768

IUPAC2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Br)c2)N1c1ccccc1
InChIInChI=1S/C15H12BrNOS/c16-12-6-4-5-11(9-12)15-17(14(18)10-19-15)13-7-2-1-3-8-13/h1-9,15H,10H2
InChIKeyKBMKDNSDVOGGGE-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.23
Rot. Bonds2

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

2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 4232768) has the molecular formula C15H12BrNOS and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one
PubChem CID4232768
Molecular FormulaC15H12BrNOS
Molecular Weight334.24 g/mol
Exact Mass332.98
IUPAC Name2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Br)c2)N1c1ccccc1
InChIInChI=1S/C15H12BrNOS/c16-12-6-4-5-11(9-12)15-17(14(18)10-19-15)13-7-2-1-3-8-13/h1-9,15H,10H2
InChIKeyKBMKDNSDVOGGGE-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Diphenyl-4-thiazolidinone
CID 98327
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
2-[(2-bromobenzyl)thio]-N-phenylacetamide
CID 875433
3-(2-Fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 4245289
3-(2,4-Difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
3-(2-Fluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129447
2,3-Bis(2-fluorophenyl)-1,3-thiazolidin-4-one
CID 5043541
2-(3-Fluorophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 4232767
2-(4-Bromophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 5234907
N-(4-Bromo-phenyl)-2-(2,5-dioxo-1-phenethyl-pyrrolidin-3-ylsulfanyl)-acetamide
CID 2852332
N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 6737619
4-[2-(2-Bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 72204124

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one (CID 4232768) is 2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(Br)c2)N1c1ccccc1.
What is the InChIKey of 2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is KBMKDNSDVOGGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNOS/c16-12-6-4-5-11(9-12)15-17(14(18)10-19-15)13-7-2-1-3-8-13/h1-9,15H,10H2.
What are the key properties of 2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one?
2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 334.24 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 4232768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).