4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one

C14H10N2O3S — CID 136647437

IUPAC4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESCc1ccc2c(c1)=CC(=Cc1sc(=O)[nH]c1O)C(=O)N=2
InChIInChI=1S/C14H10N2O3S/c1-7-2-3-10-8(4-7)5-9(12(17)15-10)6-11-13(18)16-14(19)20-11/h2-6,18H,1H3,(H,16,19)
InChIKeyWOJQLMZJRDQPDK-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.47
Rot. Bonds1

About 4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one (PubChem CID 136647437) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
PubChem CID136647437
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESCc1ccc2c(c1)=CC(=Cc1sc(=O)[nH]c1O)C(=O)N=2
InChIInChI=1S/C14H10N2O3S/c1-7-2-3-10-8(4-7)5-9(12(17)15-10)6-11-13(18)16-14(19)20-11/h2-6,18H,1H3,(H,16,19)
InChIKeyWOJQLMZJRDQPDK-UHFFFAOYSA-N
XLogP0.47
TPSA82.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.47
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-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one (CID 136647437) is 4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one is Cc1ccc2c(c1)=CC(=Cc1sc(=O)[nH]c1O)C(=O)N=2.
What is the InChIKey of 4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WOJQLMZJRDQPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-7-2-3-10-8(4-7)5-9(12(17)15-10)6-11-13(18)16-14(19)20-11/h2-6,18H,1H3,(H,16,19).
What are the key properties of 4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 286.31 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 136647437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).