2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C16H14F3N3S — CID 146279820

IUPAC2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(C(c1ccccc1)C(F)(F)F)C2
InChIInChI=1S/C16H14F3N3S/c17-16(18,19)14(10-4-2-1-3-5-10)22-7-6-11-12(8-20)15(21)23-13(11)9-22/h1-5,14H,6-7,9,21H2
InChIKeyCDOCNCVSBZRZDD-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.86
Rot. Bonds2

About 2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 146279820) has the molecular formula C16H14F3N3S and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID146279820
Molecular FormulaC16H14F3N3S
Molecular Weight337.37 g/mol
Exact Mass337.09
IUPAC Name2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(C(c1ccccc1)C(F)(F)F)C2
InChIInChI=1S/C16H14F3N3S/c17-16(18,19)14(10-4-2-1-3-5-10)22-7-6-11-12(8-20)15(21)23-13(11)9-22/h1-5,14H,6-7,9,21H2
InChIKeyCDOCNCVSBZRZDD-UHFFFAOYSA-N
XLogP3.86
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[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-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
2-[(2-Fluorophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 956443
(6Z)-2-amino-7-[[(2,3-difluorophenyl)methyl-methylamino]methyl]-6-ethylidene-5,7-dihydro-4H-1-benzothiophene-3-carbonitrile
CID 68334246
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-[(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
(7E)-2-amino-7-[[(2,3-difluorophenyl)methyl-methylamino]methylidene]-6-methylidene-4,5-dihydro-1-benzothiophene-3-carbonitrile
CID 144209977
2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
CID 146279837
2-Amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile
CID 146279839
5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
CID 146285658

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 146279820) is 2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(N)sc2c1CCN(C(c1ccccc1)C(F)(F)F)C2.
What is the InChIKey of 2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is CDOCNCVSBZRZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3S/c17-16(18,19)14(10-4-2-1-3-5-10)22-7-6-11-12(8-20)15(21)23-13(11)9-22/h1-5,14H,6-7,9,21H2.
What are the key properties of 2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 337.37 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,2,2-trifluoro-1-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 146279820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).