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

C19H17NO3S2 — CID 8831524

IUPAC(2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
SMILESCc1cc(/C=c2\s/c(=C\C(=O)c3cccs3)n(C)c2=O)cc(C)c1O
InChIInChI=1S/C19H17NO3S2/c1-11-7-13(8-12(2)18(11)22)9-16-19(23)20(3)17(25-16)10-14(21)15-5-4-6-24-15/h4-10,22H,1-3H3/b16-9-,17-10-
InChIKeyACQKENUJHVSPSX-CQRYCMKKSA-N
MW371.48 g/mol
LogP2.32
Rot. Bonds3

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

(2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one (PubChem CID 8831524) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
PubChem CID8831524
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Name(2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
SMILESCc1cc(/C=c2\s/c(=C\C(=O)c3cccs3)n(C)c2=O)cc(C)c1O
InChIInChI=1S/C19H17NO3S2/c1-11-7-13(8-12(2)18(11)22)9-16-19(23)20(3)17(25-16)10-14(21)15-5-4-6-24-15/h4-10,22H,1-3H3/b16-9-,17-10-
InChIKeyACQKENUJHVSPSX-CQRYCMKKSA-N
XLogP2.32
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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-[(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
(2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827979
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
(E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 14771932
3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 54355288
(2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 17420075
(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)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831598
(2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile
CID 17454409

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (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) is (2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one is Cc1cc(/C=c2\s/c(=C\C(=O)c3cccs3)n(C)c2=O)cc(C)c1O.
What is the InChIKey of (2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one?
The InChIKey is ACQKENUJHVSPSX-CQRYCMKKSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-11-7-13(8-12(2)18(11)22)9-16-19(23)20(3)17(25-16)10-14(21)15-5-4-6-24-15/h4-10,22H,1-3H3/b16-9-,17-10-.
What are the key properties of (2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one?
(2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one has a molecular weight of 371.48 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 8831524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).