2-(cyclohexylmethoxy)pyridine-4-carbothioamide

C13H18N2OS — CID 62384097

IUPAC2-(cyclohexylmethoxy)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(OCC2CCCCC2)c1
InChIInChI=1S/C13H18N2OS/c14-13(17)11-6-7-15-12(8-11)16-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,14,17)
InChIKeyVXIVNLHWKFNHRH-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.67
Rot. Bonds4

About 2-(cyclohexylmethoxy)pyridine-4-carbothioamide

2-(cyclohexylmethoxy)pyridine-4-carbothioamide (PubChem CID 62384097) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)pyridine-4-carbothioamide
PubChem CID62384097
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(cyclohexylmethoxy)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(OCC2CCCCC2)c1
InChIInChI=1S/C13H18N2OS/c14-13(17)11-6-7-15-12(8-11)16-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,14,17)
InChIKeyVXIVNLHWKFNHRH-UHFFFAOYSA-N
XLogP2.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.67
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-cyclobutylethoxy)pyridine-4-carbothioamide
CID 106201698
2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide
CID 114768192
[2-(cycloheptylmethoxy)-4-pyridinyl]methanamine
CID 114247934
(1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine
CID 114248487
4-(cyclopentylmethoxy)-3-fluorobenzenecarbothioamide
CID 66322191
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236
4-chloro-2-(cyclobutylmethoxy)pyridine
CID 71303294
2-(cyclohexylmethoxy)quinoline-4-carbothioamide
CID 63884367
3-(cyclopentylmethoxy)pyridazine-4-carbothioamide
CID 80512708
5-(cycloheptylmethoxy)pyridine-2-carbothioamide
CID 114248397
N-[[2-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62387269
N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide
CID 136845279

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)pyridine-4-carbothioamide?
The IUPAC name of 2-(cyclohexylmethoxy)pyridine-4-carbothioamide (CID 62384097) is 2-(cyclohexylmethoxy)pyridine-4-carbothioamide.
What is the SMILES notation for 2-(cyclohexylmethoxy)pyridine-4-carbothioamide?
The canonical SMILES for 2-(cyclohexylmethoxy)pyridine-4-carbothioamide is NC(=S)c1ccnc(OCC2CCCCC2)c1.
What is the InChIKey of 2-(cyclohexylmethoxy)pyridine-4-carbothioamide?
The InChIKey is VXIVNLHWKFNHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-13(17)11-6-7-15-12(8-11)16-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,14,17).
What are the key properties of 2-(cyclohexylmethoxy)pyridine-4-carbothioamide?
2-(cyclohexylmethoxy)pyridine-4-carbothioamide has a molecular weight of 250.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)pyridine-4-carbothioamide is sourced from PubChem (CID 62384097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).