(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione

C19H14ClNO2S2 — CID 126104246

IUPAC(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
SMILESC=CCN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H14ClNO2S2/c1-2-11-21-18(22)17(25-19(21)23)12-13-5-3-4-6-16(13)24-15-9-7-14(20)8-10-15/h2-10,12H,1,11H2/b17-12-
InChIKeyHTCKCYJDOWHZDU-ATVHPVEESA-N
MW387.91 g/mol
LogP5.71
Rot. Bonds5

About (5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione

(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione (PubChem CID 126104246) has the molecular formula C19H14ClNO2S2 and a molecular weight of 387.91 g/mol. Its IUPAC name is (5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
PubChem CID126104246
Molecular FormulaC19H14ClNO2S2
Molecular Weight387.91 g/mol
Exact Mass387.02
IUPAC Name(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
SMILESC=CCN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H14ClNO2S2/c1-2-11-21-18(22)17(25-19(21)23)12-13-5-3-4-6-16(13)24-15-9-7-14(20)8-10-15/h2-10,12H,1,11H2/b17-12-
InChIKeyHTCKCYJDOWHZDU-ATVHPVEESA-N
XLogP5.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126245713
(5Z)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 88888294
(5E)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2260634
(5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 162537150
(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 126246325
propan-2-yl 2-[2,4-dioxo-5-[(2-phenylsulfanylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 1228003
(5E)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1238544
2-[2-[(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile
CID 4247222
2-[2-[(Z)-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile
CID 6524179
(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126113792
(5E)-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1301236
(5E)-5-[[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126070488

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione (CID 126104246) is (5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione is C=CCN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O.
What is the InChIKey of (5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione?
The InChIKey is HTCKCYJDOWHZDU-ATVHPVEESA-N. The full InChI is InChI=1S/C19H14ClNO2S2/c1-2-11-21-18(22)17(25-19(21)23)12-13-5-3-4-6-16(13)24-15-9-7-14(20)8-10-15/h2-10,12H,1,11H2/b17-12-.
What are the key properties of (5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione has a molecular weight of 387.91 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126104246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).