2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide

C12H18N2O3S — CID 114768247

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide
SMILESCOCCOCCOc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C12H18N2O3S/c1-9-7-10(12(13)18)8-11(14-9)17-6-5-16-4-3-15-2/h7-8H,3-6H2,1-2H3,(H2,13,18)
InChIKeyRBDMTCXMNZVOLG-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.07
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide

2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide (PubChem CID 114768247) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide
PubChem CID114768247
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide
SMILESCOCCOCCOc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C12H18N2O3S/c1-9-7-10(12(13)18)8-11(14-9)17-6-5-16-4-3-15-2/h7-8H,3-6H2,1-2H3,(H2,13,18)
InChIKeyRBDMTCXMNZVOLG-UHFFFAOYSA-N
XLogP1.07
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-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

2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide
CID 114768076
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide
CID 114768237
2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
CID 114768080
2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide
CID 114768153
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile
CID 114766986
2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide
CID 114768192
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine
CID 104568171
2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768122
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768094
2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560469
2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560467
3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561789

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide (CID 114768247) is 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide is COCCOCCOc1cc(C(N)=S)cc(C)n1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide?
The InChIKey is RBDMTCXMNZVOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-7-10(12(13)18)8-11(14-9)17-6-5-16-4-3-15-2/h7-8H,3-6H2,1-2H3,(H2,13,18).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide?
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide has a molecular weight of 270.35 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114768247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).