2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide

C13H19N3OS — CID 102632263

IUPAC2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide
SMILESCN(c1ncccc1C(N)=S)C1CCCCC1O
InChIInChI=1S/C13H19N3OS/c1-16(10-6-2-3-7-11(10)17)13-9(12(14)18)5-4-8-15-13/h4-5,8,10-11,17H,2-3,6-7H2,1H3,(H2,14,18)
InChIKeySUGVXFCUGDETEQ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.46
Rot. Bonds3

About 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide

2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide (PubChem CID 102632263) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide
PubChem CID102632263
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide
SMILESCN(c1ncccc1C(N)=S)C1CCCCC1O
InChIInChI=1S/C13H19N3OS/c1-16(10-6-2-3-7-11(10)17)13-9(12(14)18)5-4-8-15-13/h4-5,8,10-11,17H,2-3,6-7H2,1H3,(H2,14,18)
InChIKeySUGVXFCUGDETEQ-UHFFFAOYSA-N
XLogP1.46
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-fluoro-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635994
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide
CID 105418161
2-[methyl(pyridazin-3-yl)amino]cyclohexan-1-ol
CID 102636109
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
CID 102631412
2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43272299
2-[(2,2-dimethylcyclohexyl)amino]pyridine-3-carbothioamide
CID 79877924
2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102640081
2-cyclopentyloxypyridine-3-carbothioamide
CID 24707361
2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol
CID 102633750
2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631354
2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol
CID 106768455

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide?
The IUPAC name of 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide (CID 102632263) is 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide is CN(c1ncccc1C(N)=S)C1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide?
The InChIKey is SUGVXFCUGDETEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-16(10-6-2-3-7-11(10)17)13-9(12(14)18)5-4-8-15-13/h4-5,8,10-11,17H,2-3,6-7H2,1H3,(H2,14,18).
What are the key properties of 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide?
2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide has a molecular weight of 265.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 102632263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).