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

C16H16FN3S — CID 146285658

IUPAC5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESCNc1sc2c(c1C#N)CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C16H16FN3S/c1-19-16-13(8-18)14-10-20(6-5-15(14)21-16)9-11-3-2-4-12(17)7-11/h2-4,7,19H,5-6,9-10H2,1H3
InChIKeyGIPBOBVJPIMYBV-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.36
Rot. Bonds3

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

5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 146285658) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
PubChem CID146285658
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC Name5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESCNc1sc2c(c1C#N)CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C16H16FN3S/c1-19-16-13(8-18)14-10-20(6-5-15(14)21-16)9-11-3-2-4-12(17)7-11/h2-4,7,19H,5-6,9-10H2,1H3
InChIKeyGIPBOBVJPIMYBV-UHFFFAOYSA-N
XLogP3.36
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (CID 146285658) is 5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is CNc1sc2c(c1C#N)CN(Cc1cccc(F)c1)CC2.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The InChIKey is GIPBOBVJPIMYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-19-16-13(8-18)14-10-20(6-5-15(14)21-16)9-11-3-2-4-12(17)7-11/h2-4,7,19H,5-6,9-10H2,1H3.
What are the key properties of 5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile has a molecular weight of 301.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 146285658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).