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

C10H14F2N2OS — CID 103150663

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)COCCc1nc2c(s1)CNCC2
InChIInChI=1S/C10H14F2N2OS/c11-9(12)6-15-4-2-10-14-7-1-3-13-5-8(7)16-10/h9,13H,1-6H2
InChIKeyYQMFWNUJYHZBHI-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.61
Rot. Bonds5

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

2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 103150663) has the molecular formula C10H14F2N2OS and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID103150663
Molecular FormulaC10H14F2N2OS
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)COCCc1nc2c(s1)CNCC2
InChIInChI=1S/C10H14F2N2OS/c11-9(12)6-15-4-2-10-14-7-1-3-13-5-8(7)16-10/h9,13H,1-6H2
InChIKeyYQMFWNUJYHZBHI-UHFFFAOYSA-N
XLogP1.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 79964343
2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62549795
2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154607
2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154594
2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 103151390
2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62693672
2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 65133539
2-[3-(3,4-dimethylphenoxy)propyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154582
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103150145
2-[(5-ethyl-2-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154625
1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanone
CID 82155295
2-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 64561223

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 103150663) is 2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is FC(F)COCCc1nc2c(s1)CNCC2.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is YQMFWNUJYHZBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2OS/c11-9(12)6-15-4-2-10-14-7-1-3-13-5-8(7)16-10/h9,13H,1-6H2.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 248.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 103150663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).