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

C15H19F2N3S — CID 146279817

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

2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 146279817) has the molecular formula C15H19F2N3S and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile
• PubChem CID: 146279817
• Molecular Formula: C15H19F2N3S
• Molecular Weight: 311.40 g/mol
• Exact Mass: 311.13
• IUPAC Name: 2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile
• SMILES: CC1(C)Cc2sc(N)c(C#N)c2CN1CC1CC(F)(F)C1
• InChI: InChI=1S/C15H19F2N3S/c1-14(2)5-12-11(10(6-18)13(19)21-12)8-20(14)7-9-3-15(16,17)4-9/h9H,3-5,7-8,19H2,1-2H3
• InChIKey: BRXGCNJEMBDLJP-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 53.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.40
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile?

The IUPAC name of 2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile (CID 146279817) is 2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile.

What is the SMILES notation for 2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile?

The canonical SMILES for 2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile is CC1(C)Cc2sc(N)c(C#N)c2CN1CC1CC(F)(F)C1.

What is the InChIKey of 2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile?

The InChIKey is BRXGCNJEMBDLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3S/c1-14(2)5-12-11(10(6-18)13(19)21-12)8-20(14)7-9-3-15(16,17)4-9/h9H,3-5,7-8,19H2,1-2H3.

What are the key properties of 2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile?

2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile has a molecular weight of 311.40 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[(3,3-difluorocyclobutyl)methyl]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 146279817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).