2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol

C7H11F2N3OS — CID 107478111

IUPAC2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESNc1cnc(N(CCO)CC(F)F)s1
InChIInChI=1S/C7H11F2N3OS/c8-5(9)4-12(1-2-13)7-11-3-6(10)14-7/h3,5,13H,1-2,4,10H2
InChIKeyGCISNARMOUTCLF-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.79
Rot. Bonds5

About 2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol

2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478111) has the molecular formula C7H11F2N3OS and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478111
Molecular FormulaC7H11F2N3OS
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC Name2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESNc1cnc(N(CCO)CC(F)F)s1
InChIInChI=1S/C7H11F2N3OS/c8-5(9)4-12(1-2-13)7-11-3-6(10)14-7/h3,5,13H,1-2,4,10H2
InChIKeyGCISNARMOUTCLF-UHFFFAOYSA-N
XLogP0.79
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107478111) is 2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol is Nc1cnc(N(CCO)CC(F)F)s1.
What is the InChIKey of 2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is GCISNARMOUTCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3OS/c8-5(9)4-12(1-2-13)7-11-3-6(10)14-7/h3,5,13H,1-2,4,10H2.
What are the key properties of 2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 223.25 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).