2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide

C15H22N2OS — CID 114341090

IUPAC2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide
SMILESCc1ccnc(OC2CCC(C)(C)CC2)c1C(N)=S
InChIInChI=1S/C15H22N2OS/c1-10-6-9-17-14(12(10)13(16)19)18-11-4-7-15(2,3)8-5-11/h6,9,11H,4-5,7-8H2,1-3H3,(H2,16,19)
InChIKeyKHNWHFYUQMQYGX-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.37
Rot. Bonds3

About 2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide

2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide (PubChem CID 114341090) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide
PubChem CID114341090
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide
SMILESCc1ccnc(OC2CCC(C)(C)CC2)c1C(N)=S
InChIInChI=1S/C15H22N2OS/c1-10-6-9-17-14(12(10)13(16)19)18-11-4-7-15(2,3)8-5-11/h6,9,11H,4-5,7-8H2,1-3H3,(H2,16,19)
InChIKeyKHNWHFYUQMQYGX-UHFFFAOYSA-N
XLogP3.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-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

Related Compounds

4,6-dimethyl-2-(4-methylcyclohexyl)oxypyridine-3-carbothioamide
CID 61175977
ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate
CID 144628092
2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 114341169
2-(4,4-dimethylcyclohexyl)oxy-6-methylpyridine-4-carbothioamide
CID 114768254
2-(3-methoxy-3-methylbutoxy)-4-methylpyridine-3-carbothioamide
CID 106665717
4-(4,4-dimethylcyclohexyl)oxypyridin-2-amine
CID 114342880
5-bromo-2-(4,4-dimethylcyclohexyl)oxybenzenecarbothioamide
CID 114892302
4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
CID 106878594
2-cyclopentyloxypyridine-3-carbothioamide
CID 24707361
4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide
CID 102743928
4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine
CID 114342911
[6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine
CID 114343031

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide (CID 114341090) is 2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide is Cc1ccnc(OC2CCC(C)(C)CC2)c1C(N)=S.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide?
The InChIKey is KHNWHFYUQMQYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-6-9-17-14(12(10)13(16)19)18-11-4-7-15(2,3)8-5-11/h6,9,11H,4-5,7-8H2,1-3H3,(H2,16,19).
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide?
2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide has a molecular weight of 278.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide is sourced from PubChem (CID 114341090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).