2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone

C10H14N4OS — CID 102679272

IUPAC2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCCC2CNCC21
InChIInChI=1S/C10H14N4OS/c15-10(8-5-12-16-13-8)14-3-1-2-7-4-11-6-9(7)14/h5,7,9,11H,1-4,6H2
InChIKeyNSIBLJQCSTWZRA-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.36
Rot. Bonds1

About 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone

2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 102679272) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone
PubChem CID102679272
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCCC2CNCC21
InChIInChI=1S/C10H14N4OS/c15-10(8-5-12-16-13-8)14-3-1-2-7-4-11-6-9(7)14/h5,7,9,11H,1-4,6H2
InChIKeyNSIBLJQCSTWZRA-UHFFFAOYSA-N
XLogP0.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone with MolForge

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Related Compounds

[(7S,8aS)-7-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 136588932
4-[(1,2,5-Thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 91484120
N-piperidin-4-yl-1,2,5-thiadiazole-3-carboxamide
CID 43522588
(4-Aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 43556240
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide
CID 43594282
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 43594578
N-(5-azaspiro[3.5]nonan-8-yl)-1,2,5-thiadiazole-3-carboxamide
CID 43595165
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 43595400
N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide
CID 43595660
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 43596092
N-methyl-N-piperidin-4-yl-1,2,5-thiadiazole-3-carboxamide
CID 43602042
N-(4-methylcyclohexyl)-1,2,5-thiadiazole-3-carboxamide
CID 45832707

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone (CID 102679272) is 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCCC2CNCC21.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is NSIBLJQCSTWZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c15-10(8-5-12-16-13-8)14-3-1-2-7-4-11-6-9(7)14/h5,7,9,11H,1-4,6H2.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone?
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 238.32 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 102679272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).