1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide

C12H14N2OS — CID 82523116

IUPAC1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
SMILESNC(=S)c1cc2c(n(C3CC3)c1=O)CCC2
InChIInChI=1S/C12H14N2OS/c13-11(16)9-6-7-2-1-3-10(7)14(12(9)15)8-4-5-8/h6,8H,1-5H2,(H2,13,16)
InChIKeyCLICNXBJSBYUIQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.31
Rot. Bonds2

About 1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide

1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide (PubChem CID 82523116) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide.

Molecular Properties

Compound Name1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
PubChem CID82523116
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
SMILESNC(=S)c1cc2c(n(C3CC3)c1=O)CCC2
InChIInChI=1S/C12H14N2OS/c13-11(16)9-6-7-2-1-3-10(7)14(12(9)15)8-4-5-8/h6,8H,1-5H2,(H2,13,16)
InChIKeyCLICNXBJSBYUIQ-UHFFFAOYSA-N
XLogP1.31
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.31
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

1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 82522253
1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide
CID 82521558
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride
CID 82522241
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
CID 82522239
3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523085
3-(aminomethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82189071
1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522879
2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82522939
3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522451
1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82522466
3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522850
1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522859

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The IUPAC name of 1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide (CID 82523116) is 1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide.
What is the SMILES notation for 1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The canonical SMILES for 1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide is NC(=S)c1cc2c(n(C3CC3)c1=O)CCC2.
What is the InChIKey of 1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The InChIKey is CLICNXBJSBYUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-11(16)9-6-7-2-1-3-10(7)14(12(9)15)8-4-5-8/h6,8H,1-5H2,(H2,13,16).
What are the key properties of 1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide has a molecular weight of 234.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide is sourced from PubChem (CID 82523116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).