3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide

C15H17N3S — CID 114288445

IUPAC3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide
SMILESCc1ccc(N(C)c2cnccc2C(N)=S)c(C)c1
InChIInChI=1S/C15H17N3S/c1-10-4-5-13(11(2)8-10)18(3)14-9-17-7-6-12(14)15(16)19/h4-9H,1-3H3,(H2,16,19)
InChIKeyFEALFPMUQQRCKJ-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.10
Rot. Bonds3

About 3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide

3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide (PubChem CID 114288445) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide
PubChem CID114288445
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide
SMILESCc1ccc(N(C)c2cnccc2C(N)=S)c(C)c1
InChIInChI=1S/C15H17N3S/c1-10-4-5-13(11(2)8-10)18(3)14-9-17-7-6-12(14)15(16)19/h4-9H,1-3H3,(H2,16,19)
InChIKeyFEALFPMUQQRCKJ-UHFFFAOYSA-N
XLogP3.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.10
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-2-(N,2,4-trimethylanilino)benzenecarbothioamide
CID 107928865
4-chloro-2-(N,2,4-trimethylanilino)benzenecarbothioamide
CID 63519613
3-(2,4-dimethylanilino)pyridine-4-carbothioamide
CID 114288096
4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
CID 105073452
3-[2-hydroxyethyl(methyl)amino]pyridine-4-carbothioamide
CID 114288238
3-[methyl(3-methylbutyl)amino]pyridine-4-carbothioamide
CID 114288272
ethyl 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetate
CID 114288353
5-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 107928594
N-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 81246461
2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide
CID 114288187
5-methyl-2-[methyl(pyridin-3-ylmethyl)amino]benzenecarbothioamide
CID 107928562
3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
CID 81249862

Frequently Asked Questions

What is the IUPAC name of 3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide?
The IUPAC name of 3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide (CID 114288445) is 3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide?
The canonical SMILES for 3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide is Cc1ccc(N(C)c2cnccc2C(N)=S)c(C)c1.
What is the InChIKey of 3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide?
The InChIKey is FEALFPMUQQRCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-10-4-5-13(11(2)8-10)18(3)14-9-17-7-6-12(14)15(16)19/h4-9H,1-3H3,(H2,16,19).
What are the key properties of 3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide?
3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide has a molecular weight of 271.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide is sourced from PubChem (CID 114288445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).