3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one

C14H10N2O3S2 — CID 1384709

IUPAC3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one
SMILESCOc1ccc2c(c1)=CC(=Cc1sc(=S)[nH]c1O)C(=O)N=2
InChIInChI=1S/C14H10N2O3S2/c1-19-9-2-3-10-7(5-9)4-8(12(17)15-10)6-11-13(18)16-14(20)21-11/h2-6,18H,1H3,(H,16,20)
InChIKeyCYOXYHIFEABXPN-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.54
Rot. Bonds2

About 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one

3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one (PubChem CID 1384709) has the molecular formula C14H10N2O3S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one.

Molecular Properties

Compound Name3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one
PubChem CID1384709
Molecular FormulaC14H10N2O3S2
Molecular Weight318.38 g/mol
Exact Mass318.01
IUPAC Name3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one
SMILESCOc1ccc2c(c1)=CC(=Cc1sc(=S)[nH]c1O)C(=O)N=2
InChIInChI=1S/C14H10N2O3S2/c1-19-9-2-3-10-7(5-9)4-8(12(17)15-10)6-11-13(18)16-14(20)21-11/h2-6,18H,1H3,(H,16,20)
InChIKeyCYOXYHIFEABXPN-UHFFFAOYSA-N
XLogP1.54
TPSA74.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one?
The IUPAC name of 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one (CID 1384709) is 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one.
What is the SMILES notation for 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one?
The canonical SMILES for 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one is COc1ccc2c(c1)=CC(=Cc1sc(=S)[nH]c1O)C(=O)N=2.
What is the InChIKey of 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one?
The InChIKey is CYOXYHIFEABXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S2/c1-19-9-2-3-10-7(5-9)4-8(12(17)15-10)6-11-13(18)16-14(20)21-11/h2-6,18H,1H3,(H,16,20).
What are the key properties of 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one?
3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one has a molecular weight of 318.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one is sourced from PubChem (CID 1384709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).