2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine

C8H12F2N2OS — CID 103081253

IUPAC2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESFC(F)COCCNCc1cncs1
InChIInChI=1S/C8H12F2N2OS/c9-8(10)5-13-2-1-11-3-7-4-12-6-14-7/h4,6,8,11H,1-3,5H2
InChIKeyXUIPHGMKEGRSRH-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.51
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine

2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 103081253) has the molecular formula C8H12F2N2OS and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID103081253
Molecular FormulaC8H12F2N2OS
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESFC(F)COCCNCc1cncs1
InChIInChI=1S/C8H12F2N2OS/c9-8(10)5-13-2-1-11-3-7-4-12-6-14-7/h4,6,8,11H,1-3,5H2
InChIKeyXUIPHGMKEGRSRH-UHFFFAOYSA-N
XLogP1.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 103081253) is 2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine is FC(F)COCCNCc1cncs1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is XUIPHGMKEGRSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2OS/c9-8(10)5-13-2-1-11-3-7-4-12-6-14-7/h4,6,8,11H,1-3,5H2.
What are the key properties of 2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 222.26 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 103081253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).