1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide

C12H16N2OS — CID 82524390

IUPAC1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide
SMILESCC(C)c1ccc(C(N)=S)c(=O)n1C1CC1
InChIInChI=1S/C12H16N2OS/c1-7(2)10-6-5-9(11(13)16)12(15)14(10)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,13,16)
InChIKeyLXUGDJIBZGEPSK-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.94
Rot. Bonds3

About 1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide

1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide (PubChem CID 82524390) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide.

Molecular Properties

Compound Name1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide
PubChem CID82524390
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide
SMILESCC(C)c1ccc(C(N)=S)c(=O)n1C1CC1
InChIInChI=1S/C12H16N2OS/c1-7(2)10-6-5-9(11(13)16)12(15)14(10)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,13,16)
InChIKeyLXUGDJIBZGEPSK-UHFFFAOYSA-N
XLogP1.94
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.94
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-(chloromethyl)-1-cyclopropyl-6-propan-2-ylpyridin-2-one
CID 82524388
1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82523116
1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide
CID 82520398
1-cyclopropyl-6-methyl-2-oxopyridine-3-carboximidamide
CID 82525216
1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one
CID 82524144
3-acetyl-1-cyclopropyl-6-methylpyridin-2-one
CID 82525165
1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide
CID 82521558
1-cyclopropylaziridine-2,3-dione
CID 154037475
1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid
CID 83533011
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 82522253
1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide
CID 82524843
1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82520836

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide?
The IUPAC name of 1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide (CID 82524390) is 1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide.
What is the SMILES notation for 1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide?
The canonical SMILES for 1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide is CC(C)c1ccc(C(N)=S)c(=O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide?
The InChIKey is LXUGDJIBZGEPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-7(2)10-6-5-9(11(13)16)12(15)14(10)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,13,16).
What are the key properties of 1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide?
1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide has a molecular weight of 236.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-oxo-6-propan-2-ylpyridine-3-carbothioamide is sourced from PubChem (CID 82524390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).