2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide

C12H18N2O2S — CID 114768076

IUPAC2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(OCCOC(C)C)n1
InChIInChI=1S/C12H18N2O2S/c1-8(2)15-4-5-16-11-7-10(12(13)17)6-9(3)14-11/h6-8H,4-5H2,1-3H3,(H2,13,17)
InChIKeySFLHXAJHENDQHW-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.83
Rot. Bonds6

About 2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide

2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide (PubChem CID 114768076) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide
PubChem CID114768076
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(OCCOC(C)C)n1
InChIInChI=1S/C12H18N2O2S/c1-8(2)15-4-5-16-11-7-10(12(13)17)6-9(3)14-11/h6-8H,4-5H2,1-3H3,(H2,13,17)
InChIKeySFLHXAJHENDQHW-UHFFFAOYSA-N
XLogP1.83
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide
CID 114768247
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-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide
CID 114768192
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768094
2-(1,3-benzodioxol-5-ylmethoxy)-6-methylpyridine-4-carbothioamide
CID 114768074
2-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carbothioamide
CID 114768253
2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide
CID 114768114
2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768122
2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
CID 58503833
2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide
CID 114768008

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide (CID 114768076) is 2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(OCCOC(C)C)n1.
What is the InChIKey of 2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide?
The InChIKey is SFLHXAJHENDQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(2)15-4-5-16-11-7-10(12(13)17)6-9(3)14-11/h6-8H,4-5H2,1-3H3,(H2,13,17).
What are the key properties of 2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide?
2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide has a molecular weight of 254.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide is sourced from PubChem (CID 114768076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).