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

C13H15NO4S — CID 18936400

IUPAC(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\SCN(C)C2=O)cc(OC)c1O
InChIInChI=1S/C13H15NO4S/c1-14-7-19-11(13(14)16)6-8-4-9(17-2)12(15)10(5-8)18-3/h4-6,15H,7H2,1-3H3/b11-6-
InChIKeyPNRGJCRRUKYTBI-WDZFZDKYSA-N
MW281.33 g/mol
LogP1.91
Rot. Bonds3

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

(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 18936400) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID18936400
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\SCN(C)C2=O)cc(OC)c1O
InChIInChI=1S/C13H15NO4S/c1-14-7-19-11(13(14)16)6-8-4-9(17-2)12(15)10(5-8)18-3/h4-6,15H,7H2,1-3H3/b11-6-
InChIKeyPNRGJCRRUKYTBI-WDZFZDKYSA-N
XLogP1.91
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 162048318
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1251620
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 158844505
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 140632499
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 126037191
(5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126344557
(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-benzothiophen-3-one
CID 839991
2-[5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
CID 4515095
(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126349514
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 9247653
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one
CID 138720142
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione
CID 54295043

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (CID 18936400) is (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is COc1cc(/C=C2\SCN(C)C2=O)cc(OC)c1O.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is PNRGJCRRUKYTBI-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-14-7-19-11(13(14)16)6-8-4-9(17-2)12(15)10(5-8)18-3/h4-6,15H,7H2,1-3H3/b11-6-.
What are the key properties of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 281.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18936400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).