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

C17H12ClNO2S2 — CID 8831442

IUPAC(2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
SMILESCn1c(=O)/c(=C\c2cccc(Cl)c2)s/c1=C\C(=O)c1cccs1
InChIInChI=1S/C17H12ClNO2S2/c1-19-16(10-13(20)14-6-3-7-22-14)23-15(17(19)21)9-11-4-2-5-12(18)8-11/h2-10H,1H3/b15-9+,16-10-
InChIKeyWFVIALUTUWEXFO-TYVLLQCESA-N
MW361.88 g/mol
LogP2.65
Rot. Bonds3

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

(2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one (PubChem CID 8831442) has the molecular formula C17H12ClNO2S2 and a molecular weight of 361.88 g/mol. Its IUPAC name is (2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
PubChem CID8831442
Molecular FormulaC17H12ClNO2S2
Molecular Weight361.88 g/mol
Exact Mass361.00
IUPAC Name(2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
SMILESCn1c(=O)/c(=C\c2cccc(Cl)c2)s/c1=C\C(=O)c1cccs1
InChIInChI=1S/C17H12ClNO2S2/c1-19-16(10-13(20)14-6-3-7-22-14)23-15(17(19)21)9-11-4-2-5-12(18)8-11/h2-10H,1H3/b15-9+,16-10-
InChIKeyWFVIALUTUWEXFO-TYVLLQCESA-N
XLogP2.65
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831529
(2Z,5E)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831420
2-[2-methoxy-4-[(Z)-[(2Z)-3-methyl-4-oxo-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile
CID 8831515
(2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831545
(2Z,5E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831553
(2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 17420075
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831598
(2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
CID 47022586
(2Z)-2-[(5Z)-5-[[3-[(E)-[(2Z)-2-(cyanomethylidene)-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829379
(2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-ethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 98449361
methyl (2Z,5R)-2-[(3-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2297097

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one (CID 8831442) is (2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one is Cn1c(=O)/c(=C\c2cccc(Cl)c2)s/c1=C\C(=O)c1cccs1.
What is the InChIKey of (2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one?
The InChIKey is WFVIALUTUWEXFO-TYVLLQCESA-N. The full InChI is InChI=1S/C17H12ClNO2S2/c1-19-16(10-13(20)14-6-3-7-22-14)23-15(17(19)21)9-11-4-2-5-12(18)8-11/h2-10H,1H3/b15-9+,16-10-.
What are the key properties of (2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one?
(2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one has a molecular weight of 361.88 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 8831442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).