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

C19H24F3N3O3S — CID 19974245

IUPAC2-[4-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CC(C)NCC(O)c2sc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C19H24F3N3O3S/c1-11(8-13-4-6-14(7-5-13)28-10-16(27)23-3)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)
InChIKeySOMNLPBPCYOTAG-UHFFFAOYSA-N
MW431.48 g/mol
LogP2.85
Rot. Bonds9

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

2-[4-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide (PubChem CID 19974245) has the molecular formula C19H24F3N3O3S and a molecular weight of 431.48 g/mol. Its IUPAC name is 2-[4-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide
PubChem CID19974245
Molecular FormulaC19H24F3N3O3S
Molecular Weight431.48 g/mol
Exact Mass431.15
IUPAC Name2-[4-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CC(C)NCC(O)c2sc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C19H24F3N3O3S/c1-11(8-13-4-6-14(7-5-13)28-10-16(27)23-3)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)
InChIKeySOMNLPBPCYOTAG-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide (CID 19974245) is 2-[4-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(CC(C)NCC(O)c2sc(C(F)(F)F)nc2C)cc1.
What is the InChIKey of 2-[4-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide?
The InChIKey is SOMNLPBPCYOTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O3S/c1-11(8-13-4-6-14(7-5-13)28-10-16(27)23-3)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-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide?
2-[4-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide has a molecular weight of 431.48 g/mol, XLogP of 2.85, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 19974245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).