4,6-dimethyl-2-octoxypyridine-3-carbothioamide

C16H26N2OS — CID 63519301

IUPAC4,6-dimethyl-2-octoxypyridine-3-carbothioamide
SMILESCCCCCCCCOc1nc(C)cc(C)c1C(N)=S
InChIInChI=1S/C16H26N2OS/c1-4-5-6-7-8-9-10-19-16-14(15(17)20)12(2)11-13(3)18-16/h11H,4-10H2,1-3H3,(H2,17,20)
InChIKeyIEDYGOOHWUYOGS-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.07
Rot. Bonds9

About 4,6-dimethyl-2-octoxypyridine-3-carbothioamide

4,6-dimethyl-2-octoxypyridine-3-carbothioamide (PubChem CID 63519301) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4,6-dimethyl-2-octoxypyridine-3-carbothioamide.

Molecular Properties

Compound Name4,6-dimethyl-2-octoxypyridine-3-carbothioamide
PubChem CID63519301
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4,6-dimethyl-2-octoxypyridine-3-carbothioamide
SMILESCCCCCCCCOc1nc(C)cc(C)c1C(N)=S
InChIInChI=1S/C16H26N2OS/c1-4-5-6-7-8-9-10-19-16-14(15(17)20)12(2)11-13(3)18-16/h11H,4-10H2,1-3H3,(H2,17,20)
InChIKeyIEDYGOOHWUYOGS-UHFFFAOYSA-N
XLogP4.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
CID 106447664
2-(cyclopentylmethoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 66323052
4,6-dimethyl-2-(4-methylcyclohexyl)oxypyridine-3-carbothioamide
CID 61175977
3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine
CID 63446054
2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176908
2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 61175190
N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 63489847
1-(4,6-dimethyl-2-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296147
2-(3,5-difluorophenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 62786363
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 63518405
2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61177118
2-(2,3-dimethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176715

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-octoxypyridine-3-carbothioamide?
The IUPAC name of 4,6-dimethyl-2-octoxypyridine-3-carbothioamide (CID 63519301) is 4,6-dimethyl-2-octoxypyridine-3-carbothioamide.
What is the SMILES notation for 4,6-dimethyl-2-octoxypyridine-3-carbothioamide?
The canonical SMILES for 4,6-dimethyl-2-octoxypyridine-3-carbothioamide is CCCCCCCCOc1nc(C)cc(C)c1C(N)=S.
What is the InChIKey of 4,6-dimethyl-2-octoxypyridine-3-carbothioamide?
The InChIKey is IEDYGOOHWUYOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-5-6-7-8-9-10-19-16-14(15(17)20)12(2)11-13(3)18-16/h11H,4-10H2,1-3H3,(H2,17,20).
What are the key properties of 4,6-dimethyl-2-octoxypyridine-3-carbothioamide?
4,6-dimethyl-2-octoxypyridine-3-carbothioamide has a molecular weight of 294.46 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-octoxypyridine-3-carbothioamide is sourced from PubChem (CID 63519301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).