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'}

Analyze 4,6-dimethyl-2-octoxypyridine-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

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).