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

C16H14ClNOS — CID 732386

IUPAC(2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CS[C@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClNOS/c1-11-6-8-12(9-7-11)18-15(19)10-20-16(18)13-4-2-3-5-14(13)17/h2-9,16H,10H2,1H3/t16-/m0/s1
InChIKeyLKGYDHJSMKOYMG-INIZCTEOSA-N
MW303.81 g/mol
LogP4.43
Rot. Bonds2

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

(2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 732386) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID732386
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name(2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CS[C@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClNOS/c1-11-6-8-12(9-7-11)18-15(19)10-20-16(18)13-4-2-3-5-14(13)17/h2-9,16H,10H2,1H3/t16-/m0/s1
InChIKeyLKGYDHJSMKOYMG-INIZCTEOSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 27566764
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one
CID 3107629
3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 5057472
2-chloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125328
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 741588
(2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 690197
3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 5057465
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one
CID 3094655
2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4248077
2-(2-chlorophenyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 24796558
3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 145366980

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 732386) is (2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2Cl)cc1.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is LKGYDHJSMKOYMG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14ClNOS/c1-11-6-8-12(9-7-11)18-15(19)10-20-16(18)13-4-2-3-5-14(13)17/h2-9,16H,10H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
(2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 303.81 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 732386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).