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

C15H14FN3S — CID 146279837

IUPAC2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C15H14FN3S/c16-11-3-1-2-10(6-11)8-19-5-4-14-13(9-19)12(7-17)15(18)20-14/h1-3,6H,4-5,8-9,18H2
InChIKeyJHZDZKMNMSJOCV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.90
Rot. Bonds2

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

2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 146279837) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
PubChem CID146279837
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C15H14FN3S/c16-11-3-1-2-10(6-11)8-19-5-4-14-13(9-19)12(7-17)15(18)20-14/h1-3,6H,4-5,8-9,18H2
InChIKeyJHZDZKMNMSJOCV-UHFFFAOYSA-N
XLogP2.90
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-4,5,6,7-tetrahydro-6-(phenylmethyl)thieno(2,3-c)pyridine-3-carbonitrile
CID 562794
2-Amino-6-phenethyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carbonitrile
CID 773666
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile
CID 24690712
3-fluoro-4-({4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}methyl)benzonitrile
CID 24711261
2-Amino-5,5,6-trimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 657940
2-[(2-Fluorophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 956443
2-Amino-6-(2-(thiophen-2-yl)ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 91624089
2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile
CID 3855543
(6Z)-2-amino-7-[[(2,3-difluorophenyl)methyl-methylamino]methyl]-6-ethylidene-5,7-dihydro-4H-1-benzothiophene-3-carbonitrile
CID 68334246
6-[(2-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
CID 91574786

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (CID 146279837) is 2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is N#Cc1c(N)sc2c1CN(Cc1cccc(F)c1)CC2.
What is the InChIKey of 2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The InChIKey is JHZDZKMNMSJOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c16-11-3-1-2-10(6-11)8-19-5-4-14-13(9-19)12(7-17)15(18)20-14/h1-3,6H,4-5,8-9,18H2.
What are the key properties of 2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
2-amino-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile has a molecular weight of 287.36 g/mol, XLogP of 2.90, 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-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 146279837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).