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

C16H17N3S — CID 773666

IUPAC2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(CCc1ccccc1)C2
InChIInChI=1S/C16H17N3S/c17-10-14-13-7-9-19(11-15(13)20-16(14)18)8-6-12-4-2-1-3-5-12/h1-5H,6-9,11,18H2
InChIKeyNEZXGGXPFJZLFK-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.80
Rot. Bonds3

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

2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 773666) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID773666
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(CCc1ccccc1)C2
InChIInChI=1S/C16H17N3S/c17-10-14-13-7-9-19(11-15(13)20-16(14)18)8-6-12-4-2-1-3-5-12/h1-5H,6-9,11,18H2
InChIKeyNEZXGGXPFJZLFK-UHFFFAOYSA-N
XLogP2.80
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-Amino-4,5,6,7-tetrahydro-6-(phenylmethyl)thieno(2,3-c)pyridine-3-carbonitrile
CID 562794
Benzonitrile, 2-((4,5,6,7-tetrahydrothieno(3,2-c)pyridin-5-yl)methyl)-
CID 133950
4-[(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methyl]benzonitrile
CID 16028493
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-5,5,6-trimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile hydrochloride
CID 6602732
2-[(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methyl]benzonitrile
CID 16028495
N-(6-benzyl-3-cyano-1-thia-6-aza-4,5,6,7-tetrahydro-2-indenyl)acetamide
CID 3276041
2-Amino-3-cyano-4,5-diphenylthiophene
CID 623938
2-Amino-5,5,6-trimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 657940

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 773666) is 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(N)sc2c1CCN(CCc1ccccc1)C2.
What is the InChIKey of 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is NEZXGGXPFJZLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-10-14-13-7-9-19(11-15(13)20-16(14)18)8-6-12-4-2-1-3-5-12/h1-5H,6-9,11,18H2.
What are the key properties of 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 283.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 773666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).