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

C11H18F3N3OS — CID 107486285

IUPAC2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNc1ncc(CN(CCO)CC(F)(F)F)s1
InChIInChI=1S/C11H18F3N3OS/c1-2-3-15-10-16-6-9(19-10)7-17(4-5-18)8-11(12,13)14/h6,18H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyCIOAULJZOYXUQW-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.32
Rot. Bonds8

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

2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486285) has the molecular formula C11H18F3N3OS and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486285
Molecular FormulaC11H18F3N3OS
Molecular Weight297.35 g/mol
Exact Mass297.11
IUPAC Name2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNc1ncc(CN(CCO)CC(F)(F)F)s1
InChIInChI=1S/C11H18F3N3OS/c1-2-3-15-10-16-6-9(19-10)7-17(4-5-18)8-11(12,13)14/h6,18H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyCIOAULJZOYXUQW-UHFFFAOYSA-N
XLogP2.32
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486285) is 2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is CCCNc1ncc(CN(CCO)CC(F)(F)F)s1.
What is the InChIKey of 2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is CIOAULJZOYXUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3OS/c1-2-3-15-10-16-6-9(19-10)7-17(4-5-18)8-11(12,13)14/h6,18H,2-5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 297.35 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).