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

C11H17F3N2OS — CID 113339721

IUPAC2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCc1nc(CN(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2OS/c1-2-3-10-15-9(7-18-10)6-16(4-5-17)8-11(12,13)14/h7,17H,2-6,8H2,1H3
InChIKeyBTMGPWVRKURCQA-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.45
Rot. Bonds7

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

2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 113339721) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID113339721
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCc1nc(CN(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2OS/c1-2-3-10-15-9(7-18-10)6-16(4-5-17)8-11(12,13)14/h7,17H,2-6,8H2,1H3
InChIKeyBTMGPWVRKURCQA-UHFFFAOYSA-N
XLogP2.45
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl]-2-(1-ethoxyethyl)-1,3-thiazole
CID 72008387
2-Methyl-1-(methyl((2-propylthiazol-4-yl)methyl)amino)propan-2-ol
CID 56790951
2-[[2-(Methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol
CID 75425341
2-[(2-Butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol
CID 75455978
2-[Propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol
CID 91659889
2-[[(2S)-butan-2-yl]-(1,3-thiazol-4-ylmethyl)amino]ethanol
CID 124298211
(3,3-Difluoropyrrolidin-1-yl)-[2-(1-ethoxyethenyl)-1,3-thiazol-4-yl]methanol
CID 163609539
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732804
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61526468
1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 61529784
1,1,1-Trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol
CID 63900623
1,1,1-Trifluoro-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 63900831

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 113339721) is 2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is CCCc1nc(CN(CCO)CC(F)(F)F)cs1.
What is the InChIKey of 2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is BTMGPWVRKURCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-2-3-10-15-9(7-18-10)6-16(4-5-17)8-11(12,13)14/h7,17H,2-6,8H2,1H3.
What are the key properties of 2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 282.33 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 113339721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).