4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one

C13H8N2O3S — CID 155812082

IUPAC4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=C/C1=C\c1sc(=O)[nH]c1O
InChIInChI=1S/C13H8N2O3S/c16-11-8(6-10-12(17)15-13(18)19-10)5-7-3-1-2-4-9(7)14-11/h1-6,17H,(H,15,18)/b8-6+
InChIKeyFRAXFMDFYDDEDI-SOFGYWHQSA-N
MW272.29 g/mol
LogP0.17
Rot. Bonds1

About 4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one (PubChem CID 155812082) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
PubChem CID155812082
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=C/C1=C\c1sc(=O)[nH]c1O
InChIInChI=1S/C13H8N2O3S/c16-11-8(6-10-12(17)15-13(18)19-10)5-7-3-1-2-4-9(7)14-11/h1-6,17H,(H,15,18)/b8-6+
InChIKeyFRAXFMDFYDDEDI-SOFGYWHQSA-N
XLogP0.17
TPSA82.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one (CID 155812082) is 4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one is O=C1N=c2ccccc2=C/C1=C\c1sc(=O)[nH]c1O.
What is the InChIKey of 4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FRAXFMDFYDDEDI-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-11-8(6-10-12(17)15-13(18)19-10)5-7-3-1-2-4-9(7)14-11/h1-6,17H,(H,15,18)/b8-6+.
What are the key properties of 4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 272.29 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 155812082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).