4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one

C13H14N2OS — CID 909666

IUPAC4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one
SMILESCc1cc(C)n(N=Cc2ccc(C)s2)c(=O)c1
InChIInChI=1S/C13H14N2OS/c1-9-6-10(2)15(13(16)7-9)14-8-12-5-4-11(3)17-12/h4-8H,1-3H3
InChIKeyLSGWHTTXDMNZKJ-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.72
Rot. Bonds2

About 4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one

4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one (PubChem CID 909666) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one
PubChem CID909666
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one
SMILESCc1cc(C)n(N=Cc2ccc(C)s2)c(=O)c1
InChIInChI=1S/C13H14N2OS/c1-9-6-10(2)15(13(16)7-9)14-8-12-5-4-11(3)17-12/h4-8H,1-3H3
InChIKeyLSGWHTTXDMNZKJ-UHFFFAOYSA-N
XLogP2.72
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-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 4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one?
The IUPAC name of 4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one (CID 909666) is 4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one is Cc1cc(C)n(N=Cc2ccc(C)s2)c(=O)c1.
What is the InChIKey of 4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one?
The InChIKey is LSGWHTTXDMNZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-6-10(2)15(13(16)7-9)14-8-12-5-4-11(3)17-12/h4-8H,1-3H3.
What are the key properties of 4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one?
4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one has a molecular weight of 246.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one is sourced from PubChem (CID 909666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).