2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide

C19H24F3N3O3S — CID 67935980

IUPAC2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(C)CNCC(O)c2sc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C19H24F3N3O3S/c1-11(13-4-6-14(7-5-13)28-10-16(27)23-3)8-24-9-15(26)17-12(2)25-18(29-17)19(20,21)22/h4-7,11,15,24,26H,8-10H2,1-3H3,(H,23,27)
InChIKeyVCISABNEGQKQFX-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.02
Rot. Bonds9

About 2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide

2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide (PubChem CID 67935980) has the molecular formula C19H24F3N3O3S and a molecular weight of 431.48 g/mol. Its IUPAC name is 2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide
PubChem CID67935980
Molecular FormulaC19H24F3N3O3S
Molecular Weight431.48 g/mol
Exact Mass431.15
IUPAC Name2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(C)CNCC(O)c2sc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C19H24F3N3O3S/c1-11(13-4-6-14(7-5-13)28-10-16(27)23-3)8-24-9-15(26)17-12(2)25-18(29-17)19(20,21)22/h4-7,11,15,24,26H,8-10H2,1-3H3,(H,23,27)
InChIKeyVCISABNEGQKQFX-UHFFFAOYSA-N
XLogP3.02
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[1-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propan-2-yl]phenoxy]acetate
CID 70555770
methyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate
CID 67935943
methyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate
CID 67936228
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46491720
2-(4-butan-2-ylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361593
2-[4-[4-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]butan-2-yl]phenoxy]-N-methylacetamide
CID 70507072
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81339847
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
N-ethyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364320
ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid
CID 142975502
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide (CID 67935980) is 2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(C(C)CNCC(O)c2sc(C(F)(F)F)nc2C)cc1.
What is the InChIKey of 2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide?
The InChIKey is VCISABNEGQKQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O3S/c1-11(13-4-6-14(7-5-13)28-10-16(27)23-3)8-24-9-15(26)17-12(2)25-18(29-17)19(20,21)22/h4-7,11,15,24,26H,8-10H2,1-3H3,(H,23,27).
What are the key properties of 2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide?
2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide has a molecular weight of 431.48 g/mol, XLogP of 3.02, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 67935980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).