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

C16H11F3N4S — CID 133331101

IUPAC2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCc3c(sc(N)c3C#N)C2)cc1C(F)(F)F
InChIInChI=1S/C16H11F3N4S/c17-16(18,19)13-5-10(2-1-9(13)6-20)23-4-3-11-12(7-21)15(22)24-14(11)8-23/h1-2,5H,3-4,8,22H2
InChIKeyVOYPCXCHYZPTGW-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.66
Rot. Bonds1

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

2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 133331101) has the molecular formula C16H11F3N4S and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID133331101
Molecular FormulaC16H11F3N4S
Molecular Weight348.35 g/mol
Exact Mass348.07
IUPAC Name2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCc3c(sc(N)c3C#N)C2)cc1C(F)(F)F
InChIInChI=1S/C16H11F3N4S/c17-16(18,19)13-5-10(2-1-9(13)6-20)23-4-3-11-12(7-21)15(22)24-14(11)8-23/h1-2,5H,3-4,8,22H2
InChIKeyVOYPCXCHYZPTGW-UHFFFAOYSA-N
XLogP3.66
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-[4-cyano-2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 133331121
2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 71862576
2-amino-6-(3-ethoxy-4-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 133331190
4-(4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(trifluoromethyl)benzonitrile
CID 118545178
4-thiomorpholin-4-yl-2-(trifluoromethyl)benzonitrile
CID 43138542
4-(azepan-1-yl)-2-(trifluoromethyl)benzonitrile
CID 43320619
2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 46663248
4-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)benzonitrile
CID 60584985
4-piperazin-1-yl-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 11403582
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)benzonitrile
CID 43581814
4-(3,6-dihydro-2H-pyridin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 115969562
2-[4-[4-cyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 56583913

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 133331101) is 2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1ccc(N2CCc3c(sc(N)c3C#N)C2)cc1C(F)(F)F.
What is the InChIKey of 2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is VOYPCXCHYZPTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4S/c17-16(18,19)13-5-10(2-1-9(13)6-20)23-4-3-11-12(7-21)15(22)24-14(11)8-23/h1-2,5H,3-4,8,22H2.
What are the key properties of 2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 348.35 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 133331101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).