2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile

C15H14FN3S — CID 142732511

IUPAC2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(NCc2ccc(F)cc2)sc2c1CCNC2
InChIInChI=1S/C15H14FN3S/c16-11-3-1-10(2-4-11)8-19-15-13(7-17)12-5-6-18-9-14(12)20-15/h1-4,18-19H,5-6,8-9H2
InChIKeyNLIULQWLXORYJL-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.02
Rot. Bonds3

About 2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile

2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 142732511) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
PubChem CID142732511
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(NCc2ccc(F)cc2)sc2c1CCNC2
InChIInChI=1S/C15H14FN3S/c16-11-3-1-10(2-4-11)8-19-15-13(7-17)12-5-6-18-9-14(12)20-15/h1-4,18-19H,5-6,8-9H2
InChIKeyNLIULQWLXORYJL-UHFFFAOYSA-N
XLogP3.02
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile (CID 142732511) is 2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(NCc2ccc(F)cc2)sc2c1CCNC2.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is NLIULQWLXORYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c16-11-3-1-10(2-4-11)8-19-15-13(7-17)12-5-6-18-9-14(12)20-15/h1-4,18-19H,5-6,8-9H2.
What are the key properties of 2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 287.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 142732511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).