5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile

C15H20FN3S — CID 146285656

IUPAC5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESCNc1sc2c(c1C#N)CN(CC1CC(C)(F)C1)CC2
InChIInChI=1S/C15H20FN3S/c1-15(16)5-10(6-15)8-19-4-3-13-12(9-19)11(7-17)14(18-2)20-13/h10,18H,3-6,8-9H2,1-2H3
InChIKeyRFFDQZRPBHUYHO-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.16
Rot. Bonds3

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

5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 146285656) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
PubChem CID146285656
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESCNc1sc2c(c1C#N)CN(CC1CC(C)(F)C1)CC2
InChIInChI=1S/C15H20FN3S/c1-15(16)5-10(6-15)8-19-4-3-13-12(9-19)11(7-17)14(18-2)20-13/h10,18H,3-6,8-9H2,1-2H3
InChIKeyRFFDQZRPBHUYHO-UHFFFAOYSA-N
XLogP3.16
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile with MolForge

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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
N-[3-cyano-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
CID 919219
2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 826484
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)isobutyramide
CID 4647918
2-Amino-5,5,6-trimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 657940
2-(Ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 57355508
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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (CID 146285656) is 5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is CNc1sc2c(c1C#N)CN(CC1CC(C)(F)C1)CC2.
What is the InChIKey of 5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The InChIKey is RFFDQZRPBHUYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-15(16)5-10(6-15)8-19-4-3-13-12(9-19)11(7-17)14(18-2)20-13/h10,18H,3-6,8-9H2,1-2H3.
What are the key properties of 5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile has a molecular weight of 293.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 146285656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).