2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile

C14H16FN3S — CID 146285707

IUPAC2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CN(CC13CC(F)(C1)C3)CC2
InChIInChI=1S/C14H16FN3S/c15-14-5-13(6-14,7-14)8-18-2-1-11-10(4-18)9(3-16)12(17)19-11/h1-2,4-8,17H2
InChIKeyPNBVTRQUHWSSTD-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.45
Rot. Bonds2

About 2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile

2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 146285707) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
PubChem CID146285707
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CN(CC13CC(F)(C1)C3)CC2
InChIInChI=1S/C14H16FN3S/c15-14-5-13(6-14,7-14)8-18-2-1-11-10(4-18)9(3-16)12(17)19-11/h1-2,4-8,17H2
InChIKeyPNBVTRQUHWSSTD-UHFFFAOYSA-N
XLogP2.45
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(propan-2-yl)-4H,5H,6H,7H-thieno(2,3-c)pyridine-3-carbonitrile
CID 544962
2-Amino-6-methyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carbonitrile
CID 264296
2-Amino-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 1830672
2-amino-4H,5H,6H,7H-thieno(2,3-c)pyridine-3-carbonitrile
CID 8934591
2-Amino-5,5,6-trimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile hydrochloride
CID 6602732
2-Amino-5,5,6-trimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 657940
2-Amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile
CID 146279817
2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
CID 146279818
5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
CID 146285656
2-Amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile
CID 146285687
5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
CID 150377748
5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
CID 167297889

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (CID 146285707) is 2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is N#Cc1c(N)sc2c1CN(CC13CC(F)(C1)C3)CC2.
What is the InChIKey of 2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The InChIKey is PNBVTRQUHWSSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c15-14-5-13(6-14,7-14)8-18-2-1-11-10(4-18)9(3-16)12(17)19-11/h1-2,4-8,17H2.
What are the key properties of 2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile has a molecular weight of 277.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 146285707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).