2-pentan-2-yloxypyridine-4-carbothioamide

C11H16N2OS — CID 102981810

IUPAC2-pentan-2-yloxypyridine-4-carbothioamide
SMILESCCCC(C)Oc1cc(C(N)=S)ccn1
InChIInChI=1S/C11H16N2OS/c1-3-4-8(2)14-10-7-9(11(12)15)5-6-13-10/h5-8H,3-4H2,1-2H3,(H2,12,15)
InChIKeyDSTBIBLEPBILRE-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.28
Rot. Bonds5

About 2-pentan-2-yloxypyridine-4-carbothioamide

2-pentan-2-yloxypyridine-4-carbothioamide (PubChem CID 102981810) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-pentan-2-yloxypyridine-4-carbothioamide.

Molecular Properties

Compound Name2-pentan-2-yloxypyridine-4-carbothioamide
PubChem CID102981810
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-pentan-2-yloxypyridine-4-carbothioamide
SMILESCCCC(C)Oc1cc(C(N)=S)ccn1
InChIInChI=1S/C11H16N2OS/c1-3-4-8(2)14-10-7-9(11(12)15)5-6-13-10/h5-8H,3-4H2,1-2H3,(H2,12,15)
InChIKeyDSTBIBLEPBILRE-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.28
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

4-pentan-2-yloxypyridine-2-carbothioamide
CID 102981815
2-[methyl(pentan-2-yl)amino]pyridine-4-carbothioamide
CID 43572453
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236
2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide
CID 61102474
2-(3-butan-2-yloxyanilino)pyridine-4-carbothioamide
CID 62327209
4-octan-2-yloxypyridine-2-carbothioamide
CID 55155513
2-(2-methoxypropylamino)pyridine-4-carbothioamide
CID 102698285
N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide
CID 102982006
3-butan-2-yloxybenzenecarbothioamide
CID 43209213
2-(2,3,6-trimethylphenoxy)pyridine-4-carbothioamide
CID 43345578
2-(2-methylphenoxy)pyridine-4-carbothioamide
CID 24710338
2-(cyclohexylmethoxy)pyridine-4-carbothioamide
CID 62384097

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yloxypyridine-4-carbothioamide?
The IUPAC name of 2-pentan-2-yloxypyridine-4-carbothioamide (CID 102981810) is 2-pentan-2-yloxypyridine-4-carbothioamide.
What is the SMILES notation for 2-pentan-2-yloxypyridine-4-carbothioamide?
The canonical SMILES for 2-pentan-2-yloxypyridine-4-carbothioamide is CCCC(C)Oc1cc(C(N)=S)ccn1.
What is the InChIKey of 2-pentan-2-yloxypyridine-4-carbothioamide?
The InChIKey is DSTBIBLEPBILRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-4-8(2)14-10-7-9(11(12)15)5-6-13-10/h5-8H,3-4H2,1-2H3,(H2,12,15).
What are the key properties of 2-pentan-2-yloxypyridine-4-carbothioamide?
2-pentan-2-yloxypyridine-4-carbothioamide has a molecular weight of 224.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yloxypyridine-4-carbothioamide is sourced from PubChem (CID 102981810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).