2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride

C11H15ClF2N2S — CID 68644013

IUPAC2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
SMILESCl.FC1(F)CN(Cc2cc3c(s2)CCNC3)C1
InChIInChI=1S/C11H14F2N2S.ClH/c12-11(13)6-15(7-11)5-9-3-8-4-14-2-1-10(8)16-9;/h3,14H,1-2,4-7H2;1H
InChIKeyBFNIZTLZIPTKHS-UHFFFAOYSA-N
MW280.77 g/mol
LogP2.27
Rot. Bonds2

About 2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride

2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride (PubChem CID 68644013) has the molecular formula C11H15ClF2N2S and a molecular weight of 280.77 g/mol. Its IUPAC name is 2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
PubChem CID68644013
Molecular FormulaC11H15ClF2N2S
Molecular Weight280.77 g/mol
Exact Mass280.06
IUPAC Name2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
SMILESCl.FC1(F)CN(Cc2cc3c(s2)CCNC3)C1
InChIInChI=1S/C11H14F2N2S.ClH/c12-11(13)6-15(7-11)5-9-3-8-4-14-2-1-10(8)16-9;/h3,14H,1-2,4-7H2;1H
InChIKeyBFNIZTLZIPTKHS-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.77
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride (CID 68644013) is 2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride is Cl.FC1(F)CN(Cc2cc3c(s2)CCNC3)C1.
What is the InChIKey of 2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The InChIKey is BFNIZTLZIPTKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2S.ClH/c12-11(13)6-15(7-11)5-9-3-8-4-14-2-1-10(8)16-9;/h3,14H,1-2,4-7H2;1H.
What are the key properties of 2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride has a molecular weight of 280.77 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoroazetidin-1-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 68644013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).