2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C9H13F3N2OS — CID 103857841

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nc(CN(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2OS/c1-7-13-8(5-16-7)4-14(2-3-15)6-9(10,11)12/h5,15H,2-4,6H2,1H3
InChIKeyZTUYPACYTJPRKF-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.81
Rot. Bonds5

About 2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103857841) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103857841
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nc(CN(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2OS/c1-7-13-8(5-16-7)4-14(2-3-15)6-9(10,11)12/h5,15H,2-4,6H2,1H3
InChIKeyZTUYPACYTJPRKF-UHFFFAOYSA-N
XLogP1.81
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103857841) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is Cc1nc(CN(CCO)CC(F)(F)F)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is ZTUYPACYTJPRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-7-13-8(5-16-7)4-14(2-3-15)6-9(10,11)12/h5,15H,2-4,6H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 254.28 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103857841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).