(3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one

C20H14N2O4S2 — CID 136663133

IUPAC(3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one
SMILESCOc1ccc2c(c1)=NC(=O)/C(=C\c1sc(=S)n(-c3cccc(O)c3)c1O)C=2
InChIInChI=1S/C20H14N2O4S2/c1-26-15-6-5-11-7-12(18(24)21-16(11)10-15)8-17-19(25)22(20(27)28-17)13-3-2-4-14(23)9-13/h2-10,23,25H,1H3/b12-8-
InChIKeyDRSOFMRQVIFQJW-WQLSENKSSA-N
MW410.48 g/mol
LogP2.71
Rot. Bonds3

About (3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one

(3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one (PubChem CID 136663133) has the molecular formula C20H14N2O4S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is (3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one
PubChem CID136663133
Molecular FormulaC20H14N2O4S2
Molecular Weight410.48 g/mol
Exact Mass410.04
IUPAC Name(3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one
SMILESCOc1ccc2c(c1)=NC(=O)/C(=C\c1sc(=S)n(-c3cccc(O)c3)c1O)C=2
InChIInChI=1S/C20H14N2O4S2/c1-26-15-6-5-11-7-12(18(24)21-16(11)10-15)8-17-19(25)22(20(27)28-17)13-3-2-4-14(23)9-13/h2-10,23,25H,1H3/b12-8-
InChIKeyDRSOFMRQVIFQJW-WQLSENKSSA-N
XLogP2.71
TPSA84.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one?
The IUPAC name of (3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one (CID 136663133) is (3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one.
What is the SMILES notation for (3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one?
The canonical SMILES for (3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one is COc1ccc2c(c1)=NC(=O)/C(=C\c1sc(=S)n(-c3cccc(O)c3)c1O)C=2.
What is the InChIKey of (3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one?
The InChIKey is DRSOFMRQVIFQJW-WQLSENKSSA-N. The full InChI is InChI=1S/C20H14N2O4S2/c1-26-15-6-5-11-7-12(18(24)21-16(11)10-15)8-17-19(25)22(20(27)28-17)13-3-2-4-14(23)9-13/h2-10,23,25H,1H3/b12-8-.
What are the key properties of (3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one?
(3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one has a molecular weight of 410.48 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one is sourced from PubChem (CID 136663133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).