6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide

C12H17N3OS — CID 64595865

IUPAC6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(NC2CCCCC2O)n1
InChIInChI=1S/C12H17N3OS/c13-12(17)9-5-3-7-11(15-9)14-8-4-1-2-6-10(8)16/h3,5,7-8,10,16H,1-2,4,6H2,(H2,13,17)(H,14,15)
InChIKeyDKWWAOGSHGKOJK-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.43
Rot. Bonds3

About 6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide

6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide (PubChem CID 64595865) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide
PubChem CID64595865
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(NC2CCCCC2O)n1
InChIInChI=1S/C12H17N3OS/c13-12(17)9-5-3-7-11(15-9)14-8-4-1-2-6-10(8)16/h3,5,7-8,10,16H,1-2,4,6H2,(H2,13,17)(H,14,15)
InChIKeyDKWWAOGSHGKOJK-UHFFFAOYSA-N
XLogP1.43
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(2-hydroxycyclohexyl)amino]pyridine-2-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

6-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbothioamide
CID 64587249
6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide
CID 64588260
6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 64588853
6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide
CID 64732731
6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide
CID 64594883
2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
CID 79827031
6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-2-carbothioamide
CID 64596471
2-bromo-6-[(2-hydroxycycloheptyl)amino]benzenecarbothioamide
CID 114882664
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol
CID 131025929
trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol
CID 99857876
6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carbothioamide
CID 106023912

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide (CID 64595865) is 6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide is NC(=S)c1cccc(NC2CCCCC2O)n1.
What is the InChIKey of 6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide?
The InChIKey is DKWWAOGSHGKOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-12(17)9-5-3-7-11(15-9)14-8-4-1-2-6-10(8)16/h3,5,7-8,10,16H,1-2,4,6H2,(H2,13,17)(H,14,15).
What are the key properties of 6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide?
6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide has a molecular weight of 251.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 64595865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).