1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide

C15H16N2OS — CID 82419857

IUPAC1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide
SMILESCCc1ccccc1-n1cc(C(N)=S)c(=O)cc1C
InChIInChI=1S/C15H16N2OS/c1-3-11-6-4-5-7-13(11)17-9-12(15(16)19)14(18)8-10(17)2/h4-9H,3H2,1-2H3,(H2,16,19)
InChIKeyCQNBQWQYCSVYLQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.34
Rot. Bonds3

About 1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide

1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide (PubChem CID 82419857) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide
PubChem CID82419857
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide
SMILESCCc1ccccc1-n1cc(C(N)=S)c(=O)cc1C
InChIInChI=1S/C15H16N2OS/c1-3-11-6-4-5-7-13(11)17-9-12(15(16)19)14(18)8-10(17)2/h4-9H,3H2,1-2H3,(H2,16,19)
InChIKeyCQNBQWQYCSVYLQ-UHFFFAOYSA-N
XLogP2.34
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
CID 82419859
5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
CID 82419866
1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
CID 82419865
1-(4-chlorophenyl)-6-methyl-4-oxopyridine-3-carbothioamide
CID 82422137
6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 82419564
1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide
CID 82419941
5-amino-1-(2-ethoxyphenyl)-2-methylpyridin-4-one
CID 82467325
5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one
CID 82420554
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
5-amino-1-(2-chlorophenyl)-2-methylpyridin-4-one
CID 82467411
2-(5-methyl-1,3-dioxoisoindol-2-yl)benzenecarbothioamide
CID 43345994
1-amino-1-(2-ethyl-6-methylphenyl)thiourea
CID 20849979

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide?
The IUPAC name of 1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide (CID 82419857) is 1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide.
What is the SMILES notation for 1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide?
The canonical SMILES for 1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide is CCc1ccccc1-n1cc(C(N)=S)c(=O)cc1C.
What is the InChIKey of 1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide?
The InChIKey is CQNBQWQYCSVYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-3-11-6-4-5-7-13(11)17-9-12(15(16)19)14(18)8-10(17)2/h4-9H,3H2,1-2H3,(H2,16,19).
What are the key properties of 1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide?
1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide has a molecular weight of 272.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide is sourced from PubChem (CID 82419857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).