2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol

C7H10F2N2OS — CID 169181655

IUPAC2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol
SMILESOCC(NCC(F)F)c1cncs1
InChIInChI=1S/C7H10F2N2OS/c8-7(9)2-11-5(3-12)6-1-10-4-13-6/h1,4-5,7,11-12H,2-3H2
InChIKeyCJAJOZOVUUABRR-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.03
Rot. Bonds5

About 2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol

2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 169181655) has the molecular formula C7H10F2N2OS and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol
PubChem CID169181655
Molecular FormulaC7H10F2N2OS
Molecular Weight208.23 g/mol
Exact Mass208.05
IUPAC Name2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol
SMILESOCC(NCC(F)F)c1cncs1
InChIInChI=1S/C7H10F2N2OS/c8-7(9)2-11-5(3-12)6-1-10-4-13-6/h1,4-5,7,11-12H,2-3H2
InChIKeyCJAJOZOVUUABRR-UHFFFAOYSA-N
XLogP1.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol (CID 169181655) is 2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol is OCC(NCC(F)F)c1cncs1.
What is the InChIKey of 2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is CJAJOZOVUUABRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2OS/c8-7(9)2-11-5(3-12)6-1-10-4-13-6/h1,4-5,7,11-12H,2-3H2.
What are the key properties of 2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol?
2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 208.23 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 169181655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).