N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

C17H21F3N2O2S — CID 119112408

IUPACN-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCOc1cc(CNC(C)c2nc(C)cs2)ccc1OCC(F)(F)F
InChIInChI=1S/C17H21F3N2O2S/c1-4-23-15-7-13(5-6-14(15)24-10-17(18,19)20)8-21-12(3)16-22-11(2)9-25-16/h5-7,9,12,21H,4,8,10H2,1-3H3
InChIKeyFQYUPRIACLHYBU-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.64
Rot. Bonds8

About N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 119112408) has the molecular formula C17H21F3N2O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID119112408
Molecular FormulaC17H21F3N2O2S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC NameN-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCOc1cc(CNC(C)c2nc(C)cs2)ccc1OCC(F)(F)F
InChIInChI=1S/C17H21F3N2O2S/c1-4-23-15-7-13(5-6-14(15)24-10-17(18,19)20)8-21-12(3)16-22-11(2)9-25-16/h5-7,9,12,21H,4,8,10H2,1-3H3
InChIKeyFQYUPRIACLHYBU-UHFFFAOYSA-N
XLogP4.64
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylthiazole
CID 2742348
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CID 7119083
N-(2-(2-(3,4-dimethoxyphenyl)thiazol-4-yl)ethyl)propane-1-sulfonamide
CID 7119084
(Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146427577
(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512035
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-thiazole
CID 2543382
2-(3,4-Dimethoxyphenyl)-4-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 16291254
N-[(3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide
CID 49789329
2-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 46947866
{[2-(4-Ethoxyphenyl)-1,3-thiazol-4-yl]methyl}[2-(4-fluorophenyl)ethyl]amine
CID 9515026
(2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
CID 1896210
N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9403887

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 119112408) is N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is CCOc1cc(CNC(C)c2nc(C)cs2)ccc1OCC(F)(F)F.
What is the InChIKey of N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is FQYUPRIACLHYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2S/c1-4-23-15-7-13(5-6-14(15)24-10-17(18,19)20)8-21-12(3)16-22-11(2)9-25-16/h5-7,9,12,21H,4,8,10H2,1-3H3.
What are the key properties of N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 374.43 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 119112408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).