2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol

C8H12F2N2OS — CID 107485018

IUPAC2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cscn1)CC(F)F
InChIInChI=1S/C8H12F2N2OS/c9-8(10)4-12(1-2-13)3-7-5-14-6-11-7/h5-6,8,13H,1-4H2
InChIKeyYYLMZVQXQPNZGB-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.20
Rot. Bonds6

About 2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol

2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol (PubChem CID 107485018) has the molecular formula C8H12F2N2OS and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol
PubChem CID107485018
Molecular FormulaC8H12F2N2OS
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cscn1)CC(F)F
InChIInChI=1S/C8H12F2N2OS/c9-8(10)4-12(1-2-13)3-7-5-14-6-11-7/h5-6,8,13H,1-4H2
InChIKeyYYLMZVQXQPNZGB-UHFFFAOYSA-N
XLogP1.20
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol (CID 107485018) is 2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol is OCCN(Cc1cscn1)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol?
The InChIKey is YYLMZVQXQPNZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2OS/c9-8(10)4-12(1-2-13)3-7-5-14-6-11-7/h5-6,8,13H,1-4H2.
What are the key properties of 2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol?
2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol has a molecular weight of 222.26 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(1,3-thiazol-4-ylmethyl)amino]ethanol is sourced from PubChem (CID 107485018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).