2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide

C14H21N3S — CID 107398831

IUPAC2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide
SMILESCCN(CC1CCC1)c1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C14H21N3S/c1-3-17(9-11-5-4-6-11)13-8-12(14(15)18)7-10(2)16-13/h7-8,11H,3-6,9H2,1-2H3,(H2,15,18)
InChIKeyVKWQIPCCIMETAQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.65
Rot. Bonds5

About 2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide

2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide (PubChem CID 107398831) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide
PubChem CID107398831
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide
SMILESCCN(CC1CCC1)c1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C14H21N3S/c1-3-17(9-11-5-4-6-11)13-8-12(14(15)18)7-10(2)16-13/h7-8,11H,3-6,9H2,1-2H3,(H2,15,18)
InChIKeyVKWQIPCCIMETAQ-UHFFFAOYSA-N
XLogP2.65
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.65
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-[cyclobutylmethyl(ethyl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107548268
4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 107398799
ethyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)-ethylamino]acetate
CID 114767466
4-[cyclobutylmethyl(ethyl)amino]benzenecarbothioamide
CID 107398830
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767464
2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767331
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 107403115
2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767350
2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide
CID 114767217
2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide
CID 114767300
N-(cyclopropylmethyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80912871
2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide
CID 114768192

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide (CID 107398831) is 2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide is CCN(CC1CCC1)c1cc(C(N)=S)cc(C)n1.
What is the InChIKey of 2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide?
The InChIKey is VKWQIPCCIMETAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-17(9-11-5-4-6-11)13-8-12(14(15)18)7-10(2)16-13/h7-8,11H,3-6,9H2,1-2H3,(H2,15,18).
What are the key properties of 2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide?
2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide has a molecular weight of 263.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 107398831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).