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

C16H14BrNOS — CID 690197

IUPAC(2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CS[C@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H14BrNOS/c1-11-2-8-14(9-3-11)18-15(19)10-20-16(18)12-4-6-13(17)7-5-12/h2-9,16H,10H2,1H3/t16-/m0/s1
InChIKeyIFZZINHKFFAFDG-INIZCTEOSA-N
MW348.27 g/mol
LogP4.54
Rot. Bonds2

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

(2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 690197) has the molecular formula C16H14BrNOS and a molecular weight of 348.27 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID690197
Molecular FormulaC16H14BrNOS
Molecular Weight348.27 g/mol
Exact Mass347.00
IUPAC Name(2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CS[C@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H14BrNOS/c1-11-2-8-14(9-3-11)18-15(19)10-20-16(18)12-4-6-13(17)7-5-12/h2-9,16H,10H2,1H3/t16-/m0/s1
InChIKeyIFZZINHKFFAFDG-INIZCTEOSA-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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Related Compounds

(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 741588
3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 5057465
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
3-(3,5-dimethylphenyl)-2-[4-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidin-4-one
CID 4596326
3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 5057472
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42805213
4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125956
N-[4-[(2S)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93127579
(2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 732386
2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 11842587
3-(4-bromophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 15992471

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 690197) is (2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CS[C@H]2c2ccc(Br)cc2)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is IFZZINHKFFAFDG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14BrNOS/c1-11-2-8-14(9-3-11)18-15(19)10-20-16(18)12-4-6-13(17)7-5-12/h2-9,16H,10H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
(2S)-2-(4-bromophenyl)-3-(4-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 (2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 690197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).