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

C7H9BrF2N2OS — CID 107482095

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)c1nc(Br)cs1
InChIInChI=1S/C7H9BrF2N2OS/c8-5-4-14-7(11-5)12(1-2-13)3-6(9)10/h4,6,13H,1-3H2
InChIKeySJLFSSCCPKGIPY-UHFFFAOYSA-N
MW287.13 g/mol
LogP1.97
Rot. Bonds5

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

2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107482095) has the molecular formula C7H9BrF2N2OS and a molecular weight of 287.13 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107482095
Molecular FormulaC7H9BrF2N2OS
Molecular Weight287.13 g/mol
Exact Mass285.96
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)c1nc(Br)cs1
InChIInChI=1S/C7H9BrF2N2OS/c8-5-4-14-7(11-5)12(1-2-13)3-6(9)10/h4,6,13H,1-3H2
InChIKeySJLFSSCCPKGIPY-UHFFFAOYSA-N
XLogP1.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107482095) is 2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol is OCCN(CC(F)F)c1nc(Br)cs1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is SJLFSSCCPKGIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF2N2OS/c8-5-4-14-7(11-5)12(1-2-13)3-6(9)10/h4,6,13H,1-3H2.
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 287.13 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107482095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).