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

C19H25F3N2O3S — CID 67936093

IUPAC2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
SMILESCCOCCOc1ccc(CC(C)NCC(O)c2csc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H25F3N2O3S/c1-3-26-8-9-27-15-6-4-14(5-7-15)10-13(2)23-11-17(25)16-12-28-18(24-16)19(20,21)22/h4-7,12-13,17,23,25H,3,8-11H2,1-2H3
InChIKeyUUACOBFJAAOGEN-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.83
Rot. Bonds11

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

2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 67936093) has the molecular formula C19H25F3N2O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
PubChem CID67936093
Molecular FormulaC19H25F3N2O3S
Molecular Weight418.48 g/mol
Exact Mass418.15
IUPAC Name2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
SMILESCCOCCOc1ccc(CC(C)NCC(O)c2csc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H25F3N2O3S/c1-3-26-8-9-27-15-6-4-14(5-7-15)10-13(2)23-11-17(25)16-12-28-18(24-16)19(20,21)22/h4-7,12-13,17,23,25H,3,8-11H2,1-2H3
InChIKeyUUACOBFJAAOGEN-UHFFFAOYSA-N
XLogP3.83
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
CID 19974156
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 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate
CID 19974122
4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol
CID 14347778
2-[4-[2-[2-hydroxyethyl-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetic acid
CID 19974169
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106450535
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
N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine
CID 115494781
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
(2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid
CID 174172244

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol (CID 67936093) is 2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol is CCOCCOc1ccc(CC(C)NCC(O)c2csc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is UUACOBFJAAOGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3S/c1-3-26-8-9-27-15-6-4-14(5-7-15)10-13(2)23-11-17(25)16-12-28-18(24-16)19(20,21)22/h4-7,12-13,17,23,25H,3,8-11H2,1-2H3.
What are the key properties of 2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol?
2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 418.48 g/mol, XLogP of 3.83, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 67936093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).