5-(N,4-dimethylanilino)pyridine-2-carbothioamide

C14H15N3S — CID 115488502

IUPAC5-(N,4-dimethylanilino)pyridine-2-carbothioamide
SMILESCc1ccc(N(C)c2ccc(C(N)=S)nc2)cc1
InChIInChI=1S/C14H15N3S/c1-10-3-5-11(6-4-10)17(2)12-7-8-13(14(15)18)16-9-12/h3-9H,1-2H3,(H2,15,18)
InChIKeyNQNIEQPIXJQGNW-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.79
Rot. Bonds3

About 5-(N,4-dimethylanilino)pyridine-2-carbothioamide

5-(N,4-dimethylanilino)pyridine-2-carbothioamide (PubChem CID 115488502) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-(N,4-dimethylanilino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(N,4-dimethylanilino)pyridine-2-carbothioamide
PubChem CID115488502
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name5-(N,4-dimethylanilino)pyridine-2-carbothioamide
SMILESCc1ccc(N(C)c2ccc(C(N)=S)nc2)cc1
InChIInChI=1S/C14H15N3S/c1-10-3-5-11(6-4-10)17(2)12-7-8-13(14(15)18)16-9-12/h3-9H,1-2H3,(H2,15,18)
InChIKeyNQNIEQPIXJQGNW-UHFFFAOYSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.79
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-[methyl-(4-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614394
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
methyl 3-[(6-carbamothioyl-3-pyridinyl)-methylamino]-2-methylpropanoate
CID 115488441
5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide
CID 115488282
5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide
CID 115488219
5-(3-methylphenoxy)pyridine-2-carbothioamide
CID 113321030
4-(N,4-dimethylanilino)-3,5-difluorobenzenecarbothioamide
CID 81285451
1-[5-(N,3,5-trimethylanilino)-2-pyridinyl]ethanone
CID 83119952
5-[1-(2-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 115488566
1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone
CID 83120045
5-[(3-bromophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 115488314
2-[(6-carbamothioyl-3-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 113320870

Frequently Asked Questions

What is the IUPAC name of 5-(N,4-dimethylanilino)pyridine-2-carbothioamide?
The IUPAC name of 5-(N,4-dimethylanilino)pyridine-2-carbothioamide (CID 115488502) is 5-(N,4-dimethylanilino)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(N,4-dimethylanilino)pyridine-2-carbothioamide?
The canonical SMILES for 5-(N,4-dimethylanilino)pyridine-2-carbothioamide is Cc1ccc(N(C)c2ccc(C(N)=S)nc2)cc1.
What is the InChIKey of 5-(N,4-dimethylanilino)pyridine-2-carbothioamide?
The InChIKey is NQNIEQPIXJQGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10-3-5-11(6-4-10)17(2)12-7-8-13(14(15)18)16-9-12/h3-9H,1-2H3,(H2,15,18).
What are the key properties of 5-(N,4-dimethylanilino)pyridine-2-carbothioamide?
5-(N,4-dimethylanilino)pyridine-2-carbothioamide has a molecular weight of 257.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N,4-dimethylanilino)pyridine-2-carbothioamide is sourced from PubChem (CID 115488502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).