2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide

C9H10F2N2OS — CID 114768237

IUPAC2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(OCC(F)F)n1
InChIInChI=1S/C9H10F2N2OS/c1-5-2-6(9(12)15)3-8(13-5)14-4-7(10)11/h2-3,7H,4H2,1H3,(H2,12,15)
InChIKeyOTFKSSLSDGREAY-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.67
Rot. Bonds4

About 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide

2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide (PubChem CID 114768237) has the molecular formula C9H10F2N2OS and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide
PubChem CID114768237
Molecular FormulaC9H10F2N2OS
Molecular Weight232.25 g/mol
Exact Mass232.05
IUPAC Name2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(OCC(F)F)n1
InChIInChI=1S/C9H10F2N2OS/c1-5-2-6(9(12)15)3-8(13-5)14-4-7(10)11/h2-3,7H,4H2,1H3,(H2,12,15)
InChIKeyOTFKSSLSDGREAY-UHFFFAOYSA-N
XLogP1.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluoroethoxy)-6-methylpyridin-4-amine
CID 137377727
2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide
CID 114768076
4-(2,2-difluoroethoxy)-3,5-dimethylbenzenecarbothioamide
CID 65471348
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide
CID 114768247
2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide
CID 114768192
6-(2,2-difluoroethoxy)pyridine-3-carbothioamide
CID 82004872
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile
CID 114766974
2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide
CID 114768153
2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
CID 114768080
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768094
2-(1,3-benzodioxol-5-ylmethoxy)-6-methylpyridine-4-carbothioamide
CID 114768074
2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide
CID 114768114

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide (CID 114768237) is 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(OCC(F)F)n1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide?
The InChIKey is OTFKSSLSDGREAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2OS/c1-5-2-6(9(12)15)3-8(13-5)14-4-7(10)11/h2-3,7H,4H2,1H3,(H2,12,15).
What are the key properties of 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide?
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide has a molecular weight of 232.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114768237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).