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

C16H22FN3S — CID 146285687

IUPAC2-amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile
SMILESCC1(F)CC(CN2Cc3c(sc(N)c3C#N)CC2(C)C)C1
InChIInChI=1S/C16H22FN3S/c1-15(2)6-13-12(11(7-18)14(19)21-13)9-20(15)8-10-4-16(3,17)5-10/h10H,4-6,8-9,19H2,1-3H3
InChIKeyBNGUSKLGNPLWRY-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.48
Rot. Bonds2

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

2-amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 146285687) has the molecular formula C16H22FN3S and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile
PubChem CID146285687
Molecular FormulaC16H22FN3S
Molecular Weight307.44 g/mol
Exact Mass307.15
IUPAC Name2-amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile
SMILESCC1(F)CC(CN2Cc3c(sc(N)c3C#N)CC2(C)C)C1
InChIInChI=1S/C16H22FN3S/c1-15(2)6-13-12(11(7-18)14(19)21-13)9-20(15)8-10-4-16(3,17)5-10/h10H,4-6,8-9,19H2,1-3H3
InChIKeyBNGUSKLGNPLWRY-UHFFFAOYSA-N
XLogP3.48
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-amino-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carbonitrile
CID 790234
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-5,5,6-trimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile hydrochloride
CID 6602732
N'-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylimidoformamide
CID 9594581
2-Amino-5,5,6-trimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 657940
(E)-N'-{3-Cyano-5,5,7,7-tetramethyl-4H,6H-thieno[2,3-C]pyridin-2-YL}-N,N-diethylmethanimidamide
CID 2868545
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
2-Amino-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile
CID 146279839
5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
CID 146285656

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile (CID 146285687) is 2-amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile is CC1(F)CC(CN2Cc3c(sc(N)c3C#N)CC2(C)C)C1.
What is the InChIKey of 2-amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile?
The InChIKey is BNGUSKLGNPLWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3S/c1-15(2)6-13-12(11(7-18)14(19)21-13)9-20(15)8-10-4-16(3,17)5-10/h10H,4-6,8-9,19H2,1-3H3.
What are the key properties of 2-amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile?
2-amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile has a molecular weight of 307.44 g/mol, XLogP of 3.48, 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-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 146285687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).