2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide

C14H17N3S2 — CID 114767829

IUPAC2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide
SMILESCCc1ccsc1CNc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C14H17N3S2/c1-3-10-4-5-19-12(10)8-16-13-7-11(14(15)18)6-9(2)17-13/h4-7H,3,8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyOWKNEKUOQPSJCP-UHFFFAOYSA-N
MW291.45 g/mol
LogP3.26
Rot. Bonds5

About 2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide

2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide (PubChem CID 114767829) has the molecular formula C14H17N3S2 and a molecular weight of 291.45 g/mol. Its IUPAC name is 2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide
PubChem CID114767829
Molecular FormulaC14H17N3S2
Molecular Weight291.45 g/mol
Exact Mass291.09
IUPAC Name2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide
SMILESCCc1ccsc1CNc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C14H17N3S2/c1-3-10-4-5-19-12(10)8-16-13-7-11(14(15)18)6-9(2)17-13/h4-7H,3,8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyOWKNEKUOQPSJCP-UHFFFAOYSA-N
XLogP3.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767051
2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide
CID 114768022
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80926174
4-N-[(3-ethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80855130
2-methyl-6-[(4-propan-2-ylphenyl)methylamino]pyridine-4-carbothioamide
CID 114767533
2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767006
5-[(3-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 113320991
2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767192
2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide
CID 114767731
2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide
CID 114767799
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775903

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide (CID 114767829) is 2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide is CCc1ccsc1CNc1cc(C(N)=S)cc(C)n1.
What is the InChIKey of 2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide?
The InChIKey is OWKNEKUOQPSJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-3-10-4-5-19-12(10)8-16-13-7-11(14(15)18)6-9(2)17-13/h4-7H,3,8H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide?
2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide has a molecular weight of 291.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).