2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide

C14H20N2OS — CID 114768192

IUPAC2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(OCC2CCCCC2)n1
InChIInChI=1S/C14H20N2OS/c1-10-7-12(14(15)18)8-13(16-10)17-9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H2,15,18)
InChIKeyWOVDELLYTDERIV-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.98
Rot. Bonds4

About 2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide

2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide (PubChem CID 114768192) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide
PubChem CID114768192
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(OCC2CCCCC2)n1
InChIInChI=1S/C14H20N2OS/c1-10-7-12(14(15)18)8-13(16-10)17-9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H2,15,18)
InChIKeyWOVDELLYTDERIV-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.98
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-(cyclohexylmethoxy)pyridine-4-carbothioamide
CID 62384097
4-(cyclopentylmethoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81053956
2-(cyclopentylmethoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 66323052
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide
CID 114768237
1-[2-(cyclohexylmethoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379534
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide
CID 114768247
2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide
CID 114768076
2-(cyclohexylmethoxy)quinoline-4-carbothioamide
CID 63884367
2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
CID 58503678
2-(4,4-dimethylcyclohexyl)oxy-6-methylpyridine-4-carbothioamide
CID 114768254
2-(cyclohexylmethoxy)-5-methylbenzenecarbothioamide
CID 107929587
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carbothioamide
CID 114767266

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide (CID 114768192) is 2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(OCC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide?
The InChIKey is WOVDELLYTDERIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-7-12(14(15)18)8-13(16-10)17-9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H2,15,18).
What are the key properties of 2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide?
2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide has a molecular weight of 264.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114768192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).