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

C14H15N3S — CID 115488139

IUPAC5-(2,5-dimethylanilino)pyridine-2-carbothioamide
SMILESCc1ccc(C)c(Nc2ccc(C(N)=S)nc2)c1
InChIInChI=1S/C14H15N3S/c1-9-3-4-10(2)13(7-9)17-11-5-6-12(14(15)18)16-8-11/h3-8,17H,1-2H3,(H2,15,18)
InChIKeyIFQDTLWJIVODCN-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.08
Rot. Bonds3

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

5-(2,5-dimethylanilino)pyridine-2-carbothioamide (PubChem CID 115488139) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-(2,5-dimethylanilino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(2,5-dimethylanilino)pyridine-2-carbothioamide
PubChem CID115488139
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name5-(2,5-dimethylanilino)pyridine-2-carbothioamide
SMILESCc1ccc(C)c(Nc2ccc(C(N)=S)nc2)c1
InChIInChI=1S/C14H15N3S/c1-9-3-4-10(2)13(7-9)17-11-5-6-12(14(15)18)16-8-11/h3-8,17H,1-2H3,(H2,15,18)
InChIKeyIFQDTLWJIVODCN-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dimethylanilino)pyridine-2-carbothioamide
CID 113320767
5-(4-fluoro-2-methylanilino)pyridine-2-carbothioamide
CID 115488157
5-(2,5-dimethylanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197157
5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide
CID 115488550
5-(2,5-dimethylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198055
N-cyclopropyl-5-(2,5-dimethylanilino)pyridine-2-carboxamide
CID 109179930
5-(4-fluoro-3-methylanilino)pyridine-2-carbothioamide
CID 113320917
5-(2,6-difluoro-3-methylanilino)pyridine-2-carbothioamide
CID 82818596
5-(2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188662
azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone
CID 109196768
ethyl 4-[5-(2,5-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194137
ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109198079

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylanilino)pyridine-2-carbothioamide?
The IUPAC name of 5-(2,5-dimethylanilino)pyridine-2-carbothioamide (CID 115488139) is 5-(2,5-dimethylanilino)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(2,5-dimethylanilino)pyridine-2-carbothioamide?
The canonical SMILES for 5-(2,5-dimethylanilino)pyridine-2-carbothioamide is Cc1ccc(C)c(Nc2ccc(C(N)=S)nc2)c1.
What is the InChIKey of 5-(2,5-dimethylanilino)pyridine-2-carbothioamide?
The InChIKey is IFQDTLWJIVODCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-9-3-4-10(2)13(7-9)17-11-5-6-12(14(15)18)16-8-11/h3-8,17H,1-2H3,(H2,15,18).
What are the key properties of 5-(2,5-dimethylanilino)pyridine-2-carbothioamide?
5-(2,5-dimethylanilino)pyridine-2-carbothioamide has a molecular weight of 257.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylanilino)pyridine-2-carbothioamide is sourced from PubChem (CID 115488139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).