methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate

C19H23F3N2O4S — CID 19974122

IUPACmethyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CC(C)NCC(OC)c2csc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H23F3N2O4S/c1-12(8-13-4-6-14(7-5-13)28-10-17(25)27-3)23-9-16(26-2)15-11-29-18(24-15)19(20,21)22/h4-7,11-12,16,23H,8-10H2,1-3H3
InChIKeyGZDFOXWQKNJTHN-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.62
Rot. Bonds10

About methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate

methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate (PubChem CID 19974122) has the molecular formula C19H23F3N2O4S and a molecular weight of 432.46 g/mol. Its IUPAC name is methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate
PubChem CID19974122
Molecular FormulaC19H23F3N2O4S
Molecular Weight432.46 g/mol
Exact Mass432.13
IUPAC Namemethyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CC(C)NCC(OC)c2csc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H23F3N2O4S/c1-12(8-13-4-6-14(7-5-13)28-10-17(25)27-3)23-9-16(26-2)15-11-29-18(24-15)19(20,21)22/h4-7,11-12,16,23H,8-10H2,1-3H3
InChIKeyGZDFOXWQKNJTHN-UHFFFAOYSA-N
XLogP3.62
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate with MolForge

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Related Compounds

2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide
CID 19974161
2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
CID 19974156
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-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
CID 19974207
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-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]-(2-phenylethyl)amino]propyl]phenoxy]acetate
CID 172682013
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
CID 154281922
methyl 2-[4-[2-[[1-hydroxy-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]ethyl]phenoxy]acetate
CID 19974196
methyl 2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]acetate
CID 67905669
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-3-(4-phenylmethoxyphenoxy)propyl]amino]propyl]phenoxy]acetate
CID 19690919
methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride
CID 14076236

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate (CID 19974122) is methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate is COC(=O)COc1ccc(CC(C)NCC(OC)c2csc(C(F)(F)F)n2)cc1.
What is the InChIKey of methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate?
The InChIKey is GZDFOXWQKNJTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O4S/c1-12(8-13-4-6-14(7-5-13)28-10-17(25)27-3)23-9-16(26-2)15-11-29-18(24-15)19(20,21)22/h4-7,11-12,16,23H,8-10H2,1-3H3.
What are the key properties of methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate?
methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate has a molecular weight of 432.46 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate is sourced from PubChem (CID 19974122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).