2-(2-methylpropoxy)pyridine-3-carbothioamide

C10H14N2OS — CID 24705507

IUPAC2-(2-methylpropoxy)pyridine-3-carbothioamide
SMILESCC(C)COc1ncccc1C(N)=S
InChIInChI=1S/C10H14N2OS/c1-7(2)6-13-10-8(9(11)14)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H2,11,14)
InChIKeyPJGYSKOJBCZWBG-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.75
Rot. Bonds4

About 2-(2-methylpropoxy)pyridine-3-carbothioamide

2-(2-methylpropoxy)pyridine-3-carbothioamide (PubChem CID 24705507) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(2-methylpropoxy)pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(2-methylpropoxy)pyridine-3-carbothioamide
PubChem CID24705507
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-(2-methylpropoxy)pyridine-3-carbothioamide
SMILESCC(C)COc1ncccc1C(N)=S
InChIInChI=1S/C10H14N2OS/c1-7(2)6-13-10-8(9(11)14)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H2,11,14)
InChIKeyPJGYSKOJBCZWBG-UHFFFAOYSA-N
XLogP1.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.75
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

3-(2-methylpropoxy)pyrazine-2-carbothioamide
CID 62683960
2-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbothioamide
CID 103177659
2-(2-methoxyphenoxy)pyridine-3-carbothioamide
CID 24702703
2-[(4-chlorophenyl)methoxy]pyridine-3-carbothioamide
CID 65126643
2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 111429038
5-methyl-2-(2-methylpropoxy)benzenecarbothioamide
CID 107929464
2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid
CID 83884318
2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43272299
2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43273948
2-cyclopentyloxypyridine-3-carbothioamide
CID 24707361
2-(2-methylpentoxy)pyridine-3-carboximidamide
CID 103283937

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)pyridine-3-carbothioamide?
The IUPAC name of 2-(2-methylpropoxy)pyridine-3-carbothioamide (CID 24705507) is 2-(2-methylpropoxy)pyridine-3-carbothioamide.
What is the SMILES notation for 2-(2-methylpropoxy)pyridine-3-carbothioamide?
The canonical SMILES for 2-(2-methylpropoxy)pyridine-3-carbothioamide is CC(C)COc1ncccc1C(N)=S.
What is the InChIKey of 2-(2-methylpropoxy)pyridine-3-carbothioamide?
The InChIKey is PJGYSKOJBCZWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7(2)6-13-10-8(9(11)14)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H2,11,14).
What are the key properties of 2-(2-methylpropoxy)pyridine-3-carbothioamide?
2-(2-methylpropoxy)pyridine-3-carbothioamide has a molecular weight of 210.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)pyridine-3-carbothioamide is sourced from PubChem (CID 24705507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).