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

C16H14BrNOS — CID 5057473

IUPAC2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2ccc(Br)cc2)c1
InChIInChI=1S/C16H14BrNOS/c1-11-3-2-4-14(9-11)18-15(19)10-20-16(18)12-5-7-13(17)8-6-12/h2-9,16H,10H2,1H3
InChIKeyOWOLCQBNOCRHRF-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.54
Rot. Bonds2

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

2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 5057473) has the molecular formula C16H14BrNOS and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID5057473
Molecular FormulaC16H14BrNOS
Molecular Weight348.27 g/mol
Exact Mass347.00
IUPAC Name2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2ccc(Br)cc2)c1
InChIInChI=1S/C16H14BrNOS/c1-11-3-2-4-14(9-11)18-15(19)10-20-16(18)12-5-7-13(17)8-6-12/h2-9,16H,10H2,1H3
InChIKeyOWOLCQBNOCRHRF-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one (CID 5057473) is 2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one is Cc1cccc(N2C(=O)CSC2c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is OWOLCQBNOCRHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNOS/c1-11-3-2-4-14(9-11)18-15(19)10-20-16(18)12-5-7-13(17)8-6-12/h2-9,16H,10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one?
2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 348.27 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5057473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).