2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol

C17H21F3N2O3S — CID 19974156

IUPAC2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(Cc1ccc(OCCO)cc1)NCC(O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C17H21F3N2O3S/c1-11(8-12-2-4-13(5-3-12)25-7-6-23)21-9-15(24)14-10-26-16(22-14)17(18,19)20/h2-5,10-11,15,21,23-24H,6-9H2,1H3
InChIKeySMFNJGIOSXAIKY-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.79
Rot. Bonds9

About 2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol

2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 19974156) has the molecular formula C17H21F3N2O3S and a molecular weight of 390.43 g/mol. Its IUPAC name is 2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
PubChem CID19974156
Molecular FormulaC17H21F3N2O3S
Molecular Weight390.43 g/mol
Exact Mass390.12
IUPAC Name2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(Cc1ccc(OCCO)cc1)NCC(O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C17H21F3N2O3S/c1-11(8-12-2-4-13(5-3-12)25-7-6-23)21-9-15(24)14-10-26-16(22-14)17(18,19)20/h2-5,10-11,15,21,23-24H,6-9H2,1H3
InChIKeySMFNJGIOSXAIKY-UHFFFAOYSA-N
XLogP2.79
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
CID 67936093
methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate
CID 19974122
2-[4-[2-[2-hydroxyethyl-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetic acid
CID 19974169
methyl 2-[4-[2-[[2-hydroxy-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
CID 19974348
methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
CID 19974207
1-(3-chlorophenyl)-2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]ethanol
CID 154369701
methyl 4-[2-[[2-(2-acetamido-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propyl]benzoate
CID 14076224
2-[1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 70468055
2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide
CID 19974161
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[3-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]propoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride
CID 44522840
2-[1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrate;dihydrochloride
CID 70468581
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
CID 154281922

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol (CID 19974156) is 2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol is CC(Cc1ccc(OCCO)cc1)NCC(O)c1csc(C(F)(F)F)n1.
What is the InChIKey of 2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is SMFNJGIOSXAIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3S/c1-11(8-12-2-4-13(5-3-12)25-7-6-23)21-9-15(24)14-10-26-16(22-14)17(18,19)20/h2-5,10-11,15,21,23-24H,6-9H2,1H3.
What are the key properties of 2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol?
2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 390.43 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 19974156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).