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

C17H16ClNOS — CID 1274539

IUPAC(2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one
SMILESCCc1ccccc1N1C(=O)CS[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNOS/c1-2-12-5-3-4-6-15(12)19-16(20)11-21-17(19)13-7-9-14(18)10-8-13/h3-10,17H,2,11H2,1H3/t17-/m0/s1
InChIKeyDUFXGYAUUMZUNR-KRWDZBQOSA-N
MW317.84 g/mol
LogP4.68
Rot. Bonds3

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

(2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one (PubChem CID 1274539) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one
PubChem CID1274539
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name(2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one
SMILESCCc1ccccc1N1C(=O)CS[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNOS/c1-2-12-5-3-4-6-15(12)19-16(20)11-21-17(19)13-7-9-14(18)10-8-13/h3-10,17H,2,11H2,1H3/t17-/m0/s1
InChIKeyDUFXGYAUUMZUNR-KRWDZBQOSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one (CID 1274539) is (2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one is CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is DUFXGYAUUMZUNR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-2-12-5-3-4-6-15(12)19-16(20)11-21-17(19)13-7-9-14(18)10-8-13/h3-10,17H,2,11H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one?
(2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 317.84 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1274539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).