(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione

C11H9NO3S — CID 19260734

IUPAC(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S/C(=C\c2ccccc2O)C1=O
InChIInChI=1S/C11H9NO3S/c1-12-10(14)9(16-11(12)15)6-7-4-2-3-5-8(7)13/h2-6,13H,1H3/b9-6-
InChIKeyOWXZJWVANRLZPG-TWGQIWQCSA-N
MW235.26 g/mol
LogP2.06
Rot. Bonds1

About (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione

(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 19260734) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID19260734
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S/C(=C\c2ccccc2O)C1=O
InChIInChI=1S/C11H9NO3S/c1-12-10(14)9(16-11(12)15)6-7-4-2-3-5-8(7)13/h2-6,13H,1H3/b9-6-
InChIKeyOWXZJWVANRLZPG-TWGQIWQCSA-N
XLogP2.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 2276150
5-[(2-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
CID 175286744
(5E)-2-(3,4-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485208
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 122711493
methyl 2-[2-[(Z)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 93052871
(5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18839947
(5Z)-3-(3-hydroxyphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6200643
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-(4-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 2179354
(5Z)-5-[(4-hydroxy-5-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 140897181
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[(1-methylcyclohexyl)methyl]-1,3-thiazolidine-2,4-dione
CID 24827642
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1229060
(5Z)-5-[[2-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 2275777

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (CID 19260734) is (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is CN1C(=O)S/C(=C\c2ccccc2O)C1=O.
What is the InChIKey of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is OWXZJWVANRLZPG-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-12-10(14)9(16-11(12)15)6-7-4-2-3-5-8(7)13/h2-6,13H,1H3/b9-6-.
What are the key properties of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 235.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 19260734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).