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

C17H18FN3S — CID 146285716

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

5-[(3-fluorophenyl)methyl]-6-methyl-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 146285716) has the molecular formula C17H18FN3S and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-6-methyl-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[(3-fluorophenyl)methyl]-6-methyl-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
• PubChem CID: 146285716
• Molecular Formula: C17H18FN3S
• Molecular Weight: 315.42 g/mol
• Exact Mass: 315.12
• IUPAC Name: 5-[(3-fluorophenyl)methyl]-6-methyl-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
• SMILES: CNc1sc2c(c1C#N)CN(Cc1cccc(F)c1)C(C)C2
• InChI: InChI=1S/C17H18FN3S/c1-11-6-16-15(14(8-19)17(20-2)22-16)10-21(11)9-12-4-3-5-13(18)7-12/h3-5,7,11,20H,6,9-10H2,1-2H3
• InChIKey: ZEOFGYMJOVWARG-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 39.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.42
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-6-methyl-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?

The IUPAC name of 5-[(3-fluorophenyl)methyl]-6-methyl-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (CID 146285716) is 5-[(3-fluorophenyl)methyl]-6-methyl-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.

What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-6-methyl-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?

The canonical SMILES for 5-[(3-fluorophenyl)methyl]-6-methyl-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is CNc1sc2c(c1C#N)CN(Cc1cccc(F)c1)C(C)C2.

What is the InChIKey of 5-[(3-fluorophenyl)methyl]-6-methyl-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?

The InChIKey is ZEOFGYMJOVWARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3S/c1-11-6-16-15(14(8-19)17(20-2)22-16)10-21(11)9-12-4-3-5-13(18)7-12/h3-5,7,11,20H,6,9-10H2,1-2H3.

What are the key properties of 5-[(3-fluorophenyl)methyl]-6-methyl-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?

5-[(3-fluorophenyl)methyl]-6-methyl-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile has a molecular weight of 315.42 g/mol, XLogP of 3.75, 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]-6-methyl-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 146285716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).