5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile

C15H13FN2OS — CID 119145559

IUPAC5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNC2CCOc3ccc(F)cc32)s1
InChIInChI=1S/C15H13FN2OS/c16-10-1-4-15-13(7-10)14(5-6-19-15)18-9-12-3-2-11(8-17)20-12/h1-4,7,14,18H,5-6,9H2
InChIKeyAHSVZLWZMMNYEY-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.37
Rot. Bonds3

About 5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile

5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile (PubChem CID 119145559) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile
PubChem CID119145559
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNC2CCOc3ccc(F)cc32)s1
InChIInChI=1S/C15H13FN2OS/c16-10-1-4-15-13(7-10)14(5-6-19-15)18-9-12-3-2-11(8-17)20-12/h1-4,7,14,18H,5-6,9H2
InChIKeyAHSVZLWZMMNYEY-UHFFFAOYSA-N
XLogP3.37
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile (CID 119145559) is 5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile is N#Cc1ccc(CNC2CCOc3ccc(F)cc32)s1.
What is the InChIKey of 5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile?
The InChIKey is AHSVZLWZMMNYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c16-10-1-4-15-13(7-10)14(5-6-19-15)18-9-12-3-2-11(8-17)20-12/h1-4,7,14,18H,5-6,9H2.
What are the key properties of 5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile?
5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 119145559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).