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

C8H10ClF3N2OS — CID 103856795

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cnc(Cl)s1)CC(F)(F)F
InChIInChI=1S/C8H10ClF3N2OS/c9-7-13-3-6(16-7)4-14(1-2-15)5-8(10,11)12/h3,15H,1-2,4-5H2
InChIKeyPFITUQIWWXKQMB-UHFFFAOYSA-N
MW274.69 g/mol
LogP2.15
Rot. Bonds5

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

2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103856795) has the molecular formula C8H10ClF3N2OS and a molecular weight of 274.69 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103856795
Molecular FormulaC8H10ClF3N2OS
Molecular Weight274.69 g/mol
Exact Mass274.02
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cnc(Cl)s1)CC(F)(F)F
InChIInChI=1S/C8H10ClF3N2OS/c9-7-13-3-6(16-7)4-14(1-2-15)5-8(10,11)12/h3,15H,1-2,4-5H2
InChIKeyPFITUQIWWXKQMB-UHFFFAOYSA-N
XLogP2.15
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.69
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103856795) is 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1cnc(Cl)s1)CC(F)(F)F.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is PFITUQIWWXKQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2OS/c9-7-13-3-6(16-7)4-14(1-2-15)5-8(10,11)12/h3,15H,1-2,4-5H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 274.69 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103856795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).