3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione

C19H14ClNO2S — CID 2860879

IUPAC3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione
SMILESCC(=Cc1ccccc1)C=C1SC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H14ClNO2S/c1-13(11-14-5-3-2-4-6-14)12-17-18(22)21(19(23)24-17)16-9-7-15(20)8-10-16/h2-12H,1H3
InChIKeyFBFKDUXLPZLKNM-UHFFFAOYSA-N
MW355.85 g/mol
LogP5.53
Rot. Bonds3

About 3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione

3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 2860879) has the molecular formula C19H14ClNO2S and a molecular weight of 355.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione
PubChem CID2860879
Molecular FormulaC19H14ClNO2S
Molecular Weight355.85 g/mol
Exact Mass355.04
IUPAC Name3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione
SMILESCC(=Cc1ccccc1)C=C1SC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H14ClNO2S/c1-13(11-14-5-3-2-4-6-14)12-17-18(22)21(19(23)24-17)16-9-7-15(20)8-10-16/h2-12H,1H3
InChIKeyFBFKDUXLPZLKNM-UHFFFAOYSA-N
XLogP5.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.85
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1350390
(5Z)-3-(4-chlorophenyl)-2-imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 16633322
3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]benzoic acid
CID 6205032
(5Z)-3-(2-ethylphenyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 18836957
(5Z)-5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1232834
5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3746545
(5Z)-3-(4-ethylphenyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6528444
(5Z)-3-cyclohexa-1,5-dien-1-yl-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 34063905
(5Z)-3-(4-chlorophenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840493
(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836782
3-(4-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2861714
3-[4-(diethylamino)phenyl]-5-(2-methyl-3-phenylprop-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3118785

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione (CID 2860879) is 3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione is CC(=Cc1ccccc1)C=C1SC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is FBFKDUXLPZLKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2S/c1-13(11-14-5-3-2-4-6-14)12-17-18(22)21(19(23)24-17)16-9-7-15(20)8-10-16/h2-12H,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione?
3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 355.85 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2860879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).