2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile

C17H18FN3S — CID 146279839

IUPAC2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile
SMILESCC1(C)Cc2sc(N)c(C#N)c2CN1Cc1cccc(F)c1
InChIInChI=1S/C17H18FN3S/c1-17(2)7-15-14(13(8-19)16(20)22-15)10-21(17)9-11-4-3-5-12(18)6-11/h3-6H,7,9-10,20H2,1-2H3
InChIKeyDAHOQNLIKBATIM-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.68
Rot. Bonds2

About 2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile

2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 146279839) has the molecular formula C17H18FN3S and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile
PubChem CID146279839
Molecular FormulaC17H18FN3S
Molecular Weight315.42 g/mol
Exact Mass315.12
IUPAC Name2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile
SMILESCC1(C)Cc2sc(N)c(C#N)c2CN1Cc1cccc(F)c1
InChIInChI=1S/C17H18FN3S/c1-17(2)7-15-14(13(8-19)16(20)22-15)10-21(17)9-11-4-3-5-12(18)6-11/h3-6H,7,9-10,20H2,1-2H3
InChIKeyDAHOQNLIKBATIM-UHFFFAOYSA-N
XLogP3.68
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile with MolForge

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Related Compounds

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
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-[(2-Fluorophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 956443
(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
6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
CID 91803113
2-[(3-Fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 142732487
2-[(4-Fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 142732511
6-acetyl-2-[(2-fluorophenyl)methylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 142732532
6-acetyl-2-[(4-fluorophenyl)methylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 142732553

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile (CID 146279839) is 2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile is CC1(C)Cc2sc(N)c(C#N)c2CN1Cc1cccc(F)c1.
What is the InChIKey of 2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile?
The InChIKey is DAHOQNLIKBATIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3S/c1-17(2)7-15-14(13(8-19)16(20)22-15)10-21(17)9-11-4-3-5-12(18)6-11/h3-6H,7,9-10,20H2,1-2H3.
What are the key properties of 2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile?
2-amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile has a molecular weight of 315.42 g/mol, XLogP of 3.68, 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]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 146279839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).