6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide

C15H16N2OS — CID 82519941

IUPAC6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide
SMILESCc1ccc(C)c(-c2ccc(C(N)=S)c(=O)n2C)c1
InChIInChI=1S/C15H16N2OS/c1-9-4-5-10(2)12(8-9)13-7-6-11(14(16)19)15(18)17(13)3/h4-8H,1-3H3,(H2,16,19)
InChIKeyWZIYWLJHZHZAER-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.30
Rot. Bonds2

About 6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide

6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide (PubChem CID 82519941) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide
PubChem CID82519941
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide
SMILESCc1ccc(C)c(-c2ccc(C(N)=S)c(=O)n2C)c1
InChIInChI=1S/C15H16N2OS/c1-9-4-5-10(2)12(8-9)13-7-6-11(14(16)19)15(18)17(13)3/h4-8H,1-3H3,(H2,16,19)
InChIKeyWZIYWLJHZHZAER-UHFFFAOYSA-N
XLogP2.30
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide?
The IUPAC name of 6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide (CID 82519941) is 6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide?
The canonical SMILES for 6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide is Cc1ccc(C)c(-c2ccc(C(N)=S)c(=O)n2C)c1.
What is the InChIKey of 6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide?
The InChIKey is WZIYWLJHZHZAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-9-4-5-10(2)12(8-9)13-7-6-11(14(16)19)15(18)17(13)3/h4-8H,1-3H3,(H2,16,19).
What are the key properties of 6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide?
6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide has a molecular weight of 272.37 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide is sourced from PubChem (CID 82519941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).