(5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione

C19H14ClNO3S — CID 126194807

IUPAC(5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H14ClNO3S/c1-24-16-11-5-13(6-12-16)3-2-4-17-18(22)21(19(23)25-17)15-9-7-14(20)8-10-15/h2-12H,1H3/b3-2+,17-4+
InChIKeyDJSWHWGDOSCZLS-GFJWLWTISA-N
MW371.85 g/mol
LogP5.15
Rot. Bonds4

About (5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione

(5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 126194807) has the molecular formula C19H14ClNO3S and a molecular weight of 371.85 g/mol. Its IUPAC name is (5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
PubChem CID126194807
Molecular FormulaC19H14ClNO3S
Molecular Weight371.85 g/mol
Exact Mass371.04
IUPAC Name(5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H14ClNO3S/c1-24-16-11-5-13(6-12-16)3-2-4-17-18(22)21(19(23)25-17)15-9-7-14(20)8-10-15/h2-12H,1H3/b3-2+,17-4+
InChIKeyDJSWHWGDOSCZLS-GFJWLWTISA-N
XLogP5.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.85
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837372
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6388341
(5Z)-3-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1284073
(5Z)-3-(4-chlorophenyl)-5-[(3-methoxy-4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126331129
(5Z)-3-(4-ethylphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836989
4-[(Z)-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 18837409
ethyl 2-[(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 2180071
methyl 4-[(E)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 1229000
methyl 4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 1229001
(5Z)-3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837419
3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2860835
(5Z)-3-ethyl-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6391422

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione (CID 126194807) is (5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione is COc1ccc(/C=C/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of (5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DJSWHWGDOSCZLS-GFJWLWTISA-N. The full InChI is InChI=1S/C19H14ClNO3S/c1-24-16-11-5-13(6-12-16)3-2-4-17-18(22)21(19(23)25-17)15-9-7-14(20)8-10-15/h2-12H,1H3/b3-2+,17-4+.
What are the key properties of (5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 371.85 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126194807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).