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

C15H11FN4S — CID 71862576

IUPAC2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)ccc1N1CCc2c(sc(N)c2C#N)C1
InChIInChI=1S/C15H11FN4S/c16-10-1-2-13(9(5-10)6-17)20-4-3-11-12(7-18)15(19)21-14(11)8-20/h1-2,5H,3-4,8,19H2
InChIKeyDROXYYQVWPWCEO-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.78
Rot. Bonds1

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

2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 71862576) has the molecular formula C15H11FN4S and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID71862576
Molecular FormulaC15H11FN4S
Molecular Weight298.35 g/mol
Exact Mass298.07
IUPAC Name2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)ccc1N1CCc2c(sc(N)c2C#N)C1
InChIInChI=1S/C15H11FN4S/c16-10-1-2-13(9(5-10)6-17)20-4-3-11-12(7-18)15(19)21-14(11)8-20/h1-2,5H,3-4,8,19H2
InChIKeyDROXYYQVWPWCEO-UHFFFAOYSA-N
XLogP2.78
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Fluoro-6-[(2-thienylmethyl)amino]benzonitrile
CID 566162
2-Amino-4,5,6,7-tetrahydro-6-(phenylmethyl)thieno(2,3-c)pyridine-3-carbonitrile
CID 562794
2-Amino-6-phenethyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carbonitrile
CID 773666
1-(3-Cyano-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl)-3-phenyl-thiourea
CID 2814533
2-Fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile
CID 67268549
6-[(2-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
CID 91574786
6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
CID 91803113
2-(N-ethylanilino)-4-(2-fluorocyclohexa-2,4-dien-1-yl)-5-methylthiophene-3-carbonitrile
CID 126539277
2-[(3-Fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 142732487
2-[(4-Fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 142732511
2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 146279820
2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
CID 146279837

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 71862576) is 2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1cc(F)ccc1N1CCc2c(sc(N)c2C#N)C1.
What is the InChIKey of 2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is DROXYYQVWPWCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4S/c16-10-1-2-13(9(5-10)6-17)20-4-3-11-12(7-18)15(19)21-14(11)8-20/h1-2,5H,3-4,8,19H2.
What are the key properties of 2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 71862576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).