6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide

C14H21N3S — CID 64732731

IUPAC6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide
SMILESCC1CC(C)CC(Nc2cccc(C(N)=S)n2)C1
InChIInChI=1S/C14H21N3S/c1-9-6-10(2)8-11(7-9)16-13-5-3-4-12(17-13)14(15)18/h3-5,9-11H,6-8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyJNCKWGVHCLOBLC-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.95
Rot. Bonds3

About 6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide

6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide (PubChem CID 64732731) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide
PubChem CID64732731
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide
SMILESCC1CC(C)CC(Nc2cccc(C(N)=S)n2)C1
InChIInChI=1S/C14H21N3S/c1-9-6-10(2)8-11(7-9)16-13-5-3-4-12(17-13)14(15)18/h3-5,9-11H,6-8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyJNCKWGVHCLOBLC-UHFFFAOYSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide
CID 64588260
6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide
CID 64594883
6-[(3-aminocyclobutyl)amino]pyridine-2-carboxamide
CID 64588385
6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide
CID 64595865
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
3-[(3,5-dimethylcyclohexyl)amino]pyridazine-4-carbothioamide
CID 80511571
6-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbothioamide
CID 64587249
6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-2-carbothioamide
CID 64596471
6-(azetidin-3-ylamino)pyridine-2-carboxamide
CID 66188207
6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 64594113
6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide
CID 64588633
6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 64588853

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide (CID 64732731) is 6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide is CC1CC(C)CC(Nc2cccc(C(N)=S)n2)C1.
What is the InChIKey of 6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide?
The InChIKey is JNCKWGVHCLOBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-9-6-10(2)8-11(7-9)16-13-5-3-4-12(17-13)14(15)18/h3-5,9-11H,6-8H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide?
6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide has a molecular weight of 263.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 64732731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).