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

C7H10F2N2OS — CID 107484179

IUPAC2-[2,2-difluoroethyl(1,3-thiazol-2-yl)amino]ethanol
SMILESOCCN(CC(F)F)c1nccs1
InChIInChI=1S/C7H10F2N2OS/c8-6(9)5-11(2-3-12)7-10-1-4-13-7/h1,4,6,12H,2-3,5H2
InChIKeyLEKVMDAVXABXIY-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.21
Rot. Bonds5

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

2-[2,2-difluoroethyl(1,3-thiazol-2-yl)amino]ethanol (PubChem CID 107484179) has the molecular formula C7H10F2N2OS and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(1,3-thiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(1,3-thiazol-2-yl)amino]ethanol
PubChem CID107484179
Molecular FormulaC7H10F2N2OS
Molecular Weight208.23 g/mol
Exact Mass208.05
IUPAC Name2-[2,2-difluoroethyl(1,3-thiazol-2-yl)amino]ethanol
SMILESOCCN(CC(F)F)c1nccs1
InChIInChI=1S/C7H10F2N2OS/c8-6(9)5-11(2-3-12)7-10-1-4-13-7/h1,4,6,12H,2-3,5H2
InChIKeyLEKVMDAVXABXIY-UHFFFAOYSA-N
XLogP1.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.21
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-2-yl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(1,3-thiazol-2-yl)amino]ethanol (CID 107484179) is 2-[2,2-difluoroethyl(1,3-thiazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(1,3-thiazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(1,3-thiazol-2-yl)amino]ethanol is OCCN(CC(F)F)c1nccs1.
What is the InChIKey of 2-[2,2-difluoroethyl(1,3-thiazol-2-yl)amino]ethanol?
The InChIKey is LEKVMDAVXABXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2OS/c8-6(9)5-11(2-3-12)7-10-1-4-13-7/h1,4,6,12H,2-3,5H2.
What are the key properties of 2-[2,2-difluoroethyl(1,3-thiazol-2-yl)amino]ethanol?
2-[2,2-difluoroethyl(1,3-thiazol-2-yl)amino]ethanol has a molecular weight of 208.23 g/mol, XLogP of 1.21, 5 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-2-yl)amino]ethanol is sourced from PubChem (CID 107484179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).