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

C19H18N2O5S — CID 16633396

IUPAC(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cc(OC)c(O)c(OC)c2)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C19H18N2O5S/c1-24-13-6-4-12(5-7-13)21-18(23)16(27-19(21)20)10-11-8-14(25-2)17(22)15(9-11)26-3/h4-10,20,22H,1-3H3/b16-10-,20-19-
InChIKeyNYIDSLHMPPGPAB-SMFDUERQSA-N
MW386.43 g/mol
LogP3.47
Rot. Bonds5

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

(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 16633396) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID16633396
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cc(OC)c(O)c(OC)c2)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C19H18N2O5S/c1-24-13-6-4-12(5-7-13)21-18(23)16(27-19(21)20)10-11-8-14(25-2)17(22)15(9-11)26-3/h4-10,20,22H,1-3H3/b16-10-,20-19-
InChIKeyNYIDSLHMPPGPAB-SMFDUERQSA-N
XLogP3.47
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-(1,3-benzodioxol-5-yl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 1258951
(5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16633301
(5Z)-2-imino-3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 16797927
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 16633206
(5Z)-3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837419
(5Z)-3-(3,4-dichlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16633611
(5E)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124522900
5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2875478
3-(2,4-dimethoxyphenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4515105
(5Z)-3-(4-ethylphenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6528379
2-imino-3-(4-methoxyphenyl)-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 1274082
(5E)-2-imino-3-(4-methoxyphenyl)-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 5292645

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 16633396) is (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2cc(OC)c(O)c(OC)c2)C(=O)N1c1ccc(OC)cc1.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is NYIDSLHMPPGPAB-SMFDUERQSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-24-13-6-4-12(5-7-13)21-18(23)16(27-19(21)20)10-11-8-14(25-2)17(22)15(9-11)26-3/h4-10,20,22H,1-3H3/b16-10-,20-19-.
What are the key properties of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 386.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).