(2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one

C19H13Cl2NO2S — CID 8831545

IUPAC(2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCn1c(=O)/c(=C\c2ccccc2Cl)s/c1=C\C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2NO2S/c1-22-18(11-16(23)12-6-8-14(20)9-7-12)25-17(19(22)24)10-13-4-2-3-5-15(13)21/h2-11H,1H3/b17-10+,18-11-
InChIKeyIBFHWOHOOQVIRO-VJTUXUFQSA-N
MW390.29 g/mol
LogP3.25
Rot. Bonds3

About (2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one

(2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 8831545) has the molecular formula C19H13Cl2NO2S and a molecular weight of 390.29 g/mol. Its IUPAC name is (2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID8831545
Molecular FormulaC19H13Cl2NO2S
Molecular Weight390.29 g/mol
Exact Mass389.00
IUPAC Name(2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCn1c(=O)/c(=C\c2ccccc2Cl)s/c1=C\C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2NO2S/c1-22-18(11-16(23)12-6-8-14(20)9-7-12)25-17(19(22)24)10-13-4-2-3-5-15(13)21/h2-11H,1H3/b17-10+,18-11-
InChIKeyIBFHWOHOOQVIRO-VJTUXUFQSA-N
XLogP3.25
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2Z,5E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831553
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831598
(2Z,5E)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831420
(2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831442
(2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
CID 47022586
(2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 17420075
(2Z,5E)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-1,3-thiazolidin-4-one
CID 24656224
4-[(E)-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 17470453
(2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831524
5-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5269018
(6E)-6-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2236350
(5E)-5-[(2-chlorophenyl)methylidene]-2-[3-[(5E)-5-[(2-chlorophenyl)methylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 10326254

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one (CID 8831545) is (2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one is Cn1c(=O)/c(=C\c2ccccc2Cl)s/c1=C\C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is IBFHWOHOOQVIRO-VJTUXUFQSA-N. The full InChI is InChI=1S/C19H13Cl2NO2S/c1-22-18(11-16(23)12-6-8-14(20)9-7-12)25-17(19(22)24)10-13-4-2-3-5-15(13)21/h2-11H,1H3/b17-10+,18-11-.
What are the key properties of (2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one?
(2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 390.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 8831545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).