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

C7H10F3N3OS — CID 107495535

IUPAC2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1cc(N(CCO)CC(F)(F)F)sn1
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)4-13(1-2-14)6-3-5(11)12-15-6/h3,14H,1-2,4H2,(H2,11,12)
InChIKeyACZYIWBJZUDWFF-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.09
Rot. Bonds4

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

2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495535) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495535
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1cc(N(CCO)CC(F)(F)F)sn1
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)4-13(1-2-14)6-3-5(11)12-15-6/h3,14H,1-2,4H2,(H2,11,12)
InChIKeyACZYIWBJZUDWFF-UHFFFAOYSA-N
XLogP1.09
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495535) is 2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is Nc1cc(N(CCO)CC(F)(F)F)sn1.
What is the InChIKey of 2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is ACZYIWBJZUDWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c8-7(9,10)4-13(1-2-14)6-3-5(11)12-15-6/h3,14H,1-2,4H2,(H2,11,12).
What are the key properties of 2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 241.24 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).