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

C11H17N3S — CID 114767217

IUPAC2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide
SMILESCCCN(C)c1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C11H17N3S/c1-4-5-14(3)10-7-9(11(12)15)6-8(2)13-10/h6-7H,4-5H2,1-3H3,(H2,12,15)
InChIKeyVJQBZYKIZMFDDN-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.87
Rot. Bonds4

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

2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide (PubChem CID 114767217) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide
PubChem CID114767217
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide
SMILESCCCN(C)c1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C11H17N3S/c1-4-5-14(3)10-7-9(11(12)15)6-8(2)13-10/h6-7H,4-5H2,1-3H3,(H2,12,15)
InChIKeyVJQBZYKIZMFDDN-UHFFFAOYSA-N
XLogP1.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.87
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

2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767331
2-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-4-carbothioamide
CID 114767323
2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767350
2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide
CID 114767240
2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide
CID 107398831
ethyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)-ethylamino]acetate
CID 114767466
2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide
CID 114767566
2-methyl-6-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide
CID 114770079
2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767560
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767464
2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide
CID 114767300
2-[ethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768868

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide (CID 114767217) is 2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide is CCCN(C)c1cc(C(N)=S)cc(C)n1.
What is the InChIKey of 2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide?
The InChIKey is VJQBZYKIZMFDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-4-5-14(3)10-7-9(11(12)15)6-8(2)13-10/h6-7H,4-5H2,1-3H3,(H2,12,15).
What are the key properties of 2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide?
2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide has a molecular weight of 223.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide is sourced from PubChem (CID 114767217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).