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

C19H14ClNO4S — CID 8831834

IUPAC(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=c2\s/c(=C\C(=O)c3ccccc3Cl)[nH]c2=O)cc1O
InChIInChI=1S/C19H14ClNO4S/c1-25-16-7-6-11(8-15(16)23)9-17-19(24)21-18(26-17)10-14(22)12-4-2-3-5-13(12)20/h2-10,23H,1H3,(H,21,24)/b17-9-,18-10-
InChIKeyBAONUMUZBNEQKO-XFQWXJFMSA-N
MW387.84 g/mol
LogP2.30
Rot. Bonds4

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

(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 8831834) has the molecular formula C19H14ClNO4S and a molecular weight of 387.84 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID8831834
Molecular FormulaC19H14ClNO4S
Molecular Weight387.84 g/mol
Exact Mass387.03
IUPAC Name(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=c2\s/c(=C\C(=O)c3ccccc3Cl)[nH]c2=O)cc1O
InChIInChI=1S/C19H14ClNO4S/c1-25-16-7-6-11(8-15(16)23)9-17-19(24)21-18(26-17)10-14(22)12-4-2-3-5-13(12)20/h2-10,23H,1H3,(H,21,24)/b17-9-,18-10-
InChIKeyBAONUMUZBNEQKO-XFQWXJFMSA-N
XLogP2.30
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832092
(2Z,5Z)-5-[(4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832075
(2Z,5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(2-oxo-2-pyridin-4-ylethylidene)-1,3-thiazolidin-4-one
CID 37172603
5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4854641
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 21157240
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830799
(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 86775979
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 8829864
(2Z,5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8830914
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830998
5-[(2,6-dichlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4851772
methyl 4-[(Z)-[(2Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 8832483

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 8831834) is (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=c2\s/c(=C\C(=O)c3ccccc3Cl)[nH]c2=O)cc1O.
What is the InChIKey of (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is BAONUMUZBNEQKO-XFQWXJFMSA-N. The full InChI is InChI=1S/C19H14ClNO4S/c1-25-16-7-6-11(8-15(16)23)9-17-19(24)21-18(26-17)10-14(22)12-4-2-3-5-13(12)20/h2-10,23H,1H3,(H,21,24)/b17-9-,18-10-.
What are the key properties of (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 387.84 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8831834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).