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

C9H13F3N2OS — CID 103857858

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1ncc(CN(CCO)CC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-7-13-4-8(16-7)5-14(2-3-15)6-9(10,11)12/h4,15H,2-3,5-6H2,1H3
InChIKeyUTVRRRDXBFXGBO-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.81
Rot. Bonds5

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

2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103857858) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103857858
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1ncc(CN(CCO)CC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-7-13-4-8(16-7)5-14(2-3-15)6-9(10,11)12/h4,15H,2-3,5-6H2,1H3
InChIKeyUTVRRRDXBFXGBO-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

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Related Compounds

(5-Methyl-1,3-thiazol-2-yl)methanol
CID 18406887
2-Thiazolemethanol, 5-(trifluoromethyl)-
CID 86767892
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine
CID 138032714
(5-(Difluoromethyl)thiazol-2-yl)methanol
CID 84652029
4-[[2-(2-Fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine
CID 143305266
Ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
CID 166088272
5-(Difluoromethyl)-2-(methoxymethyl)-1,3-thiazole
CID 169595106
Methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 176941473
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55260490
2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 61067669
1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 61530214
2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 62729347

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103857858) is 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is Cc1ncc(CN(CCO)CC(F)(F)F)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is UTVRRRDXBFXGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-7-13-4-8(16-7)5-14(2-3-15)6-9(10,11)12/h4,15H,2-3,5-6H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2-methyl-1,3-thiazol-5-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-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103857858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).