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

C8H13F2N3OS — CID 107486229

IUPAC2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNc1ncc(CN(CCO)CC(F)F)s1
InChIInChI=1S/C8H13F2N3OS/c9-7(10)5-13(1-2-14)4-6-3-12-8(11)15-6/h3,7,14H,1-2,4-5H2,(H2,11,12)
InChIKeyGDUOTNCLRZIJBZ-UHFFFAOYSA-N
MW237.27 g/mol
LogP0.78
Rot. Bonds6

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

2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107486229) has the molecular formula C8H13F2N3OS and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107486229
Molecular FormulaC8H13F2N3OS
Molecular Weight237.27 g/mol
Exact Mass237.07
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNc1ncc(CN(CCO)CC(F)F)s1
InChIInChI=1S/C8H13F2N3OS/c9-7(10)5-13(1-2-14)4-6-3-12-8(11)15-6/h3,7,14H,1-2,4-5H2,(H2,11,12)
InChIKeyGDUOTNCLRZIJBZ-UHFFFAOYSA-N
XLogP0.78
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107486229) is 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol is Nc1ncc(CN(CCO)CC(F)F)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is GDUOTNCLRZIJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3OS/c9-7(10)5-13(1-2-14)4-6-3-12-8(11)15-6/h3,7,14H,1-2,4-5H2,(H2,11,12).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 237.27 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107486229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).