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

C14H15N3S2 — CID 91624089

IUPAC2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(CCc1cccs1)C2
InChIInChI=1S/C14H15N3S2/c15-8-12-11-4-6-17(9-13(11)19-14(12)16)5-3-10-2-1-7-18-10/h1-2,7H,3-6,9,16H2
InChIKeyONMVXXQYLYTXEY-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.86
Rot. Bonds3

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

2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 91624089) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID91624089
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC Name2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(CCc1cccs1)C2
InChIInChI=1S/C14H15N3S2/c15-8-12-11-4-6-17(9-13(11)19-14(12)16)5-3-10-2-1-7-18-10/h1-2,7H,3-6,9,16H2
InChIKeyONMVXXQYLYTXEY-UHFFFAOYSA-N
XLogP2.86
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 91624089) is 2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(N)sc2c1CCN(CCc1cccs1)C2.
What is the InChIKey of 2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is ONMVXXQYLYTXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c15-8-12-11-4-6-17(9-13(11)19-14(12)16)5-3-10-2-1-7-18-10/h1-2,7H,3-6,9,16H2.
What are the key properties of 2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 289.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-thiophen-2-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 91624089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).