(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione

C19H14ClNO2S — CID 18836782

IUPAC(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(N2C(=O)S/C(=C\C(Cl)=C\c3ccccc3)C2=O)c1
InChIInChI=1S/C19H14ClNO2S/c1-13-6-5-9-16(10-13)21-18(22)17(24-19(21)23)12-15(20)11-14-7-3-2-4-8-14/h2-12H,1H3/b15-11-,17-12-
InChIKeySMIBZTNEQRYHDF-OZFCMSLCSA-N
MW355.85 g/mol
LogP5.36
Rot. Bonds3

About (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18836782) has the molecular formula C19H14ClNO2S and a molecular weight of 355.85 g/mol. Its IUPAC name is (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18836782
Molecular FormulaC19H14ClNO2S
Molecular Weight355.85 g/mol
Exact Mass355.04
IUPAC Name(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(N2C(=O)S/C(=C\C(Cl)=C\c3ccccc3)C2=O)c1
InChIInChI=1S/C19H14ClNO2S/c1-13-6-5-9-16(10-13)21-18(22)17(24-19(21)23)12-15(20)11-14-7-3-2-4-8-14/h2-12H,1H3/b15-11-,17-12-
InChIKeySMIBZTNEQRYHDF-OZFCMSLCSA-N
XLogP5.36
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 ≤ 55.36
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
3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]benzoic acid
CID 6205032
(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19546495
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836725
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836767
(5Z)-2-imino-3-(3-methylphenyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 16633228
3-(4-chlorophenyl)-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione
CID 2860879
(5Z)-5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1232834
(5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18836790
(5Z)-5-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 1247974
(5Z)-3-(4-chlorophenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840493
(5Z)-3-(3-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836772

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 18836782) is (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione is Cc1cccc(N2C(=O)S/C(=C\C(Cl)=C\c3ccccc3)C2=O)c1.
What is the InChIKey of (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is SMIBZTNEQRYHDF-OZFCMSLCSA-N. The full InChI is InChI=1S/C19H14ClNO2S/c1-13-6-5-9-16(10-13)21-18(22)17(24-19(21)23)12-15(20)11-14-7-3-2-4-8-14/h2-12H,1H3/b15-11-,17-12-.
What are the key properties of (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 355.85 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18836782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).