2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide

C17H20F3N3O3S — CID 19974162

IUPAC2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide
SMILESCC(Cc1ccc(OCC(N)=O)cc1)NCC(O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C17H20F3N3O3S/c1-10(6-11-2-4-12(5-3-11)26-8-15(21)25)22-7-14(24)13-9-27-16(23-13)17(18,19)20/h2-5,9-10,14,22,24H,6-8H2,1H3,(H2,21,25)
InChIKeyCUIMFINRIZUSBU-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.28
Rot. Bonds9

About 2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide

2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide (PubChem CID 19974162) has the molecular formula C17H20F3N3O3S and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide
PubChem CID19974162
Molecular FormulaC17H20F3N3O3S
Molecular Weight403.43 g/mol
Exact Mass403.12
IUPAC Name2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide
SMILESCC(Cc1ccc(OCC(N)=O)cc1)NCC(O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C17H20F3N3O3S/c1-10(6-11-2-4-12(5-3-11)26-8-15(21)25)22-7-14(24)13-9-27-16(23-13)17(18,19)20/h2-5,9-10,14,22,24H,6-8H2,1H3,(H2,21,25)
InChIKeyCUIMFINRIZUSBU-UHFFFAOYSA-N
XLogP2.28
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.28
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-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide (CID 19974162) is 2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide is CC(Cc1ccc(OCC(N)=O)cc1)NCC(O)c1csc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide?
The InChIKey is CUIMFINRIZUSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3S/c1-10(6-11-2-4-12(5-3-11)26-8-15(21)25)22-7-14(24)13-9-27-16(23-13)17(18,19)20/h2-5,9-10,14,22,24H,6-8H2,1H3,(H2,21,25).
What are the key properties of 2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide?
2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide has a molecular weight of 403.43 g/mol, XLogP of 2.28, 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-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetamide is sourced from PubChem (CID 19974162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).