1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide

C16H18N2O2S — CID 82520710

IUPAC1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide
SMILESCOCCn1c(-c2ccc(C)cc2)ccc(C(N)=S)c1=O
InChIInChI=1S/C16H18N2O2S/c1-11-3-5-12(6-4-11)14-8-7-13(15(17)21)16(19)18(14)9-10-20-2/h3-8H,9-10H2,1-2H3,(H2,17,21)
InChIKeyHSRKELNJQJTRLU-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.10
Rot. Bonds5

About 1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide

1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide (PubChem CID 82520710) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide
PubChem CID82520710
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide
SMILESCOCCn1c(-c2ccc(C)cc2)ccc(C(N)=S)c1=O
InChIInChI=1S/C16H18N2O2S/c1-11-3-5-12(6-4-11)14-8-7-13(15(17)21)16(19)18(14)9-10-20-2/h3-8H,9-10H2,1-2H3,(H2,17,21)
InChIKeyHSRKELNJQJTRLU-UHFFFAOYSA-N
XLogP2.10
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide with MolForge

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

Launch Full Analysis

Related Compounds

6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82519227
1-[2-(3-methoxypropoxy)ethyl]-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073334
6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82519998
1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide
CID 82519615
1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099726
6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide
CID 82519941
6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
CID 82520500
1-decyl-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073368
6-methyl-1-nonyl-2-oxopyridine-3-carbothioamide
CID 107073273
6-tert-butyl-2-(2-methoxyethyl)-3-oxopyridazine-4-carbothioamide
CID 82443730
6-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099715
3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one
CID 82520184

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide?
The IUPAC name of 1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide (CID 82520710) is 1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide is COCCn1c(-c2ccc(C)cc2)ccc(C(N)=S)c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide?
The InChIKey is HSRKELNJQJTRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-3-5-12(6-4-11)14-8-7-13(15(17)21)16(19)18(14)9-10-20-2/h3-8H,9-10H2,1-2H3,(H2,17,21).
What are the key properties of 1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide?
1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide has a molecular weight of 302.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide is sourced from PubChem (CID 82520710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).