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

C8H12F3N3OS — CID 107486279

IUPAC2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1ncc(CN(CCO)CC(F)(F)F)s1
InChIInChI=1S/C8H12F3N3OS/c9-8(10,11)5-14(1-2-15)4-6-3-13-7(12)16-6/h3,15H,1-2,4-5H2,(H2,12,13)
InChIKeyNAIRTSAEXNWXLS-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.08
Rot. Bonds5

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

2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486279) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486279
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1ncc(CN(CCO)CC(F)(F)F)s1
InChIInChI=1S/C8H12F3N3OS/c9-8(10,11)5-14(1-2-15)4-6-3-13-7(12)16-6/h3,15H,1-2,4-5H2,(H2,12,13)
InChIKeyNAIRTSAEXNWXLS-UHFFFAOYSA-N
XLogP1.08
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.08
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-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486279) is 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is Nc1ncc(CN(CCO)CC(F)(F)F)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is NAIRTSAEXNWXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c9-8(10,11)5-14(1-2-15)4-6-3-13-7(12)16-6/h3,15H,1-2,4-5H2,(H2,12,13).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2-amino-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 255.26 g/mol, XLogP of 1.08, 5 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-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).