2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile

C12H13N3S — CID 65418782

IUPAC2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N2CC=CC2)sc2c1CCNC2
InChIInChI=1S/C12H13N3S/c13-7-10-9-3-4-14-8-11(9)16-12(10)15-5-1-2-6-15/h1-2,14H,3-6,8H2
InChIKeyVJYXOBSBBDTAIC-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.64
Rot. Bonds1

About 2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile

2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 65418782) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
PubChem CID65418782
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N2CC=CC2)sc2c1CCNC2
InChIInChI=1S/C12H13N3S/c13-7-10-9-3-4-14-8-11(9)16-12(10)15-5-1-2-6-15/h1-2,14H,3-6,8H2
InChIKeyVJYXOBSBBDTAIC-UHFFFAOYSA-N
XLogP1.64
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 79671611
2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 130609897
2-(5-oxo-1H-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 107410832
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 61353572
3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 115609043
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylbenzamide
CID 43430839
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-fluorobenzamide
CID 43430864
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide
CID 43638963
3-(3-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)propanamide
CID 68634738
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide
CID 43430836
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide
CID 43599753
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide
CID 114028602

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile (CID 65418782) is 2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(N2CC=CC2)sc2c1CCNC2.
What is the InChIKey of 2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is VJYXOBSBBDTAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c13-7-10-9-3-4-14-8-11(9)16-12(10)15-5-1-2-6-15/h1-2,14H,3-6,8H2.
What are the key properties of 2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 231.32 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 65418782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).