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

C14H17F2N3S — CID 167297889

IUPAC5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESCNc1sc2c(c1C#N)CN(CC1CC(F)(F)C1)CC2
InChIInChI=1S/C14H17F2N3S/c1-18-13-10(6-17)11-8-19(3-2-12(11)20-13)7-9-4-14(15,16)5-9/h9,18H,2-5,7-8H2,1H3
InChIKeyCDTLPHPNGPNKTN-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.06
Rot. Bonds3

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

5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 167297889) has the molecular formula C14H17F2N3S and a molecular weight of 297.37 g/mol. Its IUPAC name is 5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
PubChem CID167297889
Molecular FormulaC14H17F2N3S
Molecular Weight297.37 g/mol
Exact Mass297.11
IUPAC Name5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESCNc1sc2c(c1C#N)CN(CC1CC(F)(F)C1)CC2
InChIInChI=1S/C14H17F2N3S/c1-18-13-10(6-17)11-8-19(3-2-12(11)20-13)7-9-4-14(15,16)5-9/h9,18H,2-5,7-8H2,1H3
InChIKeyCDTLPHPNGPNKTN-UHFFFAOYSA-N
XLogP3.06
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.06
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
5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
CID 146285658
2-Amino-5-[(3-fluoro-3-methylcyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile
CID 146285687
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

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (CID 167297889) is 5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is CNc1sc2c(c1C#N)CN(CC1CC(F)(F)C1)CC2.
What is the InChIKey of 5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The InChIKey is CDTLPHPNGPNKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3S/c1-18-13-10(6-17)11-8-19(3-2-12(11)20-13)7-9-4-14(15,16)5-9/h9,18H,2-5,7-8H2,1H3.
What are the key properties of 5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile has a molecular weight of 297.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluorocyclobutyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 167297889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).