2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C13H12F2N2OS — CID 55085547

IUPAC2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)Oc1ccccc1-c1nc2c(s1)CNCC2
InChIInChI=1S/C13H12F2N2OS/c14-13(15)18-10-4-2-1-3-8(10)12-17-9-5-6-16-7-11(9)19-12/h1-4,13,16H,5-7H2
InChIKeyWGOPYOSCGNQRCH-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.06
Rot. Bonds3

About 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 55085547) has the molecular formula C13H12F2N2OS and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID55085547
Molecular FormulaC13H12F2N2OS
Molecular Weight282.31 g/mol
Exact Mass282.06
IUPAC Name2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)Oc1ccccc1-c1nc2c(s1)CNCC2
InChIInChI=1S/C13H12F2N2OS/c14-13(15)18-10-4-2-1-3-8(10)12-17-9-5-6-16-7-11(9)19-12/h1-4,13,16H,5-7H2
InChIKeyWGOPYOSCGNQRCH-UHFFFAOYSA-N
XLogP3.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine 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-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 55085547) is 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is FC(F)Oc1ccccc1-c1nc2c(s1)CNCC2.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is WGOPYOSCGNQRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c14-13(15)18-10-4-2-1-3-8(10)12-17-9-5-6-16-7-11(9)19-12/h1-4,13,16H,5-7H2.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 282.31 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 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 55085547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).