2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide

C13H15N3S2 — CID 114767240

IUPAC2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N(C)Cc2cccs2)n1
InChIInChI=1S/C13H15N3S2/c1-9-6-10(13(14)17)7-12(15-9)16(2)8-11-4-3-5-18-11/h3-7H,8H2,1-2H3,(H2,14,17)
InChIKeyWMXOOGIWWXJJHY-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.72
Rot. Bonds4

About 2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide

2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide (PubChem CID 114767240) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide
PubChem CID114767240
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC Name2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N(C)Cc2cccs2)n1
InChIInChI=1S/C13H15N3S2/c1-9-6-10(13(14)17)7-12(15-9)16(2)8-11-4-3-5-18-11/h3-7H,8H2,1-2H3,(H2,14,17)
InChIKeyWMXOOGIWWXJJHY-UHFFFAOYSA-N
XLogP2.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-4-carbothioamide
CID 114767323
2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide
CID 114767217
2-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013460
2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 61437514
2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114767664
4,6-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide
CID 61175593
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768951
2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767560
2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide
CID 63883954
2-[methyl(thiophen-2-ylmethyl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 43527633
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluorobenzenecarbothioamide
CID 61437463
N'-hydroxy-2,6-dimethyl-4-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
CID 81035315

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide (CID 114767240) is 2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(N(C)Cc2cccs2)n1.
What is the InChIKey of 2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide?
The InChIKey is WMXOOGIWWXJJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S2/c1-9-6-10(13(14)17)7-12(15-9)16(2)8-11-4-3-5-18-11/h3-7H,8H2,1-2H3,(H2,14,17).
What are the key properties of 2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide?
2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide has a molecular weight of 277.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide is sourced from PubChem (CID 114767240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).