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

C16H14ClNOS — CID 674166

IUPAC(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1
InChIInChI=1S/C16H14ClNOS/c17-14-8-6-13(7-9-14)16-18(15(19)11-20-16)10-12-4-2-1-3-5-12/h1-9,16H,10-11H2/t16-/m0/s1
InChIKeyZVTINTBXDBISEZ-INIZCTEOSA-N
MW303.81 g/mol
LogP4.11
Rot. Bonds3

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

(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one (PubChem CID 674166) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is (2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
PubChem CID674166
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1
InChIInChI=1S/C16H14ClNOS/c17-14-8-6-13(7-9-14)16-18(15(19)11-20-16)10-12-4-2-1-3-5-12/h1-9,16H,10-11H2/t16-/m0/s1
InChIKeyZVTINTBXDBISEZ-INIZCTEOSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one (CID 674166) is (2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one is O=C1CS[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1.
What is the InChIKey of (2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is ZVTINTBXDBISEZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14ClNOS/c17-14-8-6-13(7-9-14)16-18(15(19)11-20-16)10-12-4-2-1-3-5-12/h1-9,16H,10-11H2/t16-/m0/s1.
What are the key properties of (2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one?
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 303.81 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 674166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).