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

C16H11N3O2S — CID 130609897

IUPAC2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N2C(=O)c3ccccc3C2=O)sc2c1CCNC2
InChIInChI=1S/C16H11N3O2S/c17-7-12-9-5-6-18-8-13(9)22-16(12)19-14(20)10-3-1-2-4-11(10)15(19)21/h1-4,18H,5-6,8H2
InChIKeyLPAGSDBGDGNZHG-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.07
Rot. Bonds1

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

2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 130609897) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
PubChem CID130609897
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N2C(=O)c3ccccc3C2=O)sc2c1CCNC2
InChIInChI=1S/C16H11N3O2S/c17-7-12-9-5-6-18-8-13(9)22-16(12)19-14(20)10-3-1-2-4-11(10)15(19)21/h1-4,18H,5-6,8H2
InChIKeyLPAGSDBGDGNZHG-UHFFFAOYSA-N
XLogP2.07
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 65418782
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
(6S)-2-(1,3-dioxo-5-phenoxyisoindol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 1044682
2-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dioxoisoindole-5-carboxylate
CID 7393505
2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 79671611
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-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-pyridin-2-ylacetamide
CID 43599763
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide
CID 43599753

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile (CID 130609897) is 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(N2C(=O)c3ccccc3C2=O)sc2c1CCNC2.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is LPAGSDBGDGNZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c17-7-12-9-5-6-18-8-13(9)22-16(12)19-14(20)10-3-1-2-4-11(10)15(19)21/h1-4,18H,5-6,8H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 309.35 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 130609897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).