2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C15H15N3S — CID 562794

IUPAC2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H15N3S/c16-8-13-12-6-7-18(10-14(12)19-15(13)17)9-11-4-2-1-3-5-11/h1-5H,6-7,9-10,17H2
InChIKeyBWNBNBHFRHCKTK-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.76
Rot. Bonds2

About 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 562794) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID562794
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H15N3S/c16-8-13-12-6-7-18(10-14(12)19-15(13)17)9-11-4-2-1-3-5-11/h1-5H,6-7,9-10,17H2
InChIKeyBWNBNBHFRHCKTK-UHFFFAOYSA-N
XLogP2.76
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(propan-2-yl)-4H,5H,6H,7H-thieno(2,3-c)pyridine-3-carbonitrile
CID 544962
2-Amino-6-methyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carbonitrile
CID 264296
2-Amino-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 1830672
Benzonitrile, 2-((4,5,6,7-tetrahydrothieno(3,2-c)pyridin-5-yl)methyl)-
CID 133950
N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)pivalamide hydrochloride
CID 16798210
N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)acetamide hydrochloride
CID 24762097
2-amino-4H,5H,6H,7H-thieno(2,3-c)pyridine-3-carbonitrile
CID 8934591
2-Amino-6-phenethyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carbonitrile
CID 773666
2-Amino-5,5,6-trimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile hydrochloride
CID 6602732
N-(6-benzyl-3-cyano-1-thia-6-aza-4,5,6,7-tetrahydro-2-indenyl)acetamide
CID 3276041
2-Amino-5,5,6-trimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 657940
2-[(2-Fluorophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 956443

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 562794) is 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(N)sc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is BWNBNBHFRHCKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-8-13-12-6-7-18(10-14(12)19-15(13)17)9-11-4-2-1-3-5-11/h1-5H,6-7,9-10,17H2.
What are the key properties of 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 269.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 562794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).