2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid

C19H21F3N2O5S — CID 14347781

IUPAC2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid
SMILESCC(Cc1ccc(OCC(=O)O)cc1)N1CCOC(O)(c2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C19H21F3N2O5S/c1-12(8-13-2-4-14(5-3-13)28-9-16(25)26)24-6-7-29-18(27,11-24)15-10-30-17(23-15)19(20,21)22/h2-5,10,12,27H,6-9,11H2,1H3,(H,25,26)
InChIKeyLKYXNZVHFNGNGT-UHFFFAOYSA-N
MW446.45 g/mol
LogP2.73
Rot. Bonds7

About 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid

2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid (PubChem CID 14347781) has the molecular formula C19H21F3N2O5S and a molecular weight of 446.45 g/mol. Its IUPAC name is 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid
PubChem CID14347781
Molecular FormulaC19H21F3N2O5S
Molecular Weight446.45 g/mol
Exact Mass446.11
IUPAC Name2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid
SMILESCC(Cc1ccc(OCC(=O)O)cc1)N1CCOC(O)(c2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C19H21F3N2O5S/c1-12(8-13-2-4-14(5-3-13)28-9-16(25)26)24-6-7-29-18(27,11-24)15-10-30-17(23-15)19(20,21)22/h2-5,10,12,27H,6-9,11H2,1H3,(H,25,26)
InChIKeyLKYXNZVHFNGNGT-UHFFFAOYSA-N
XLogP2.73
TPSA92.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]morpholin-4-yl]propyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid (CID 14347781) is 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid is CC(Cc1ccc(OCC(=O)O)cc1)N1CCOC(O)(c2csc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid?
The InChIKey is LKYXNZVHFNGNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O5S/c1-12(8-13-2-4-14(5-3-13)28-9-16(25)26)24-6-7-29-18(27,11-24)15-10-30-17(23-15)19(20,21)22/h2-5,10,12,27H,6-9,11H2,1H3,(H,25,26).
What are the key properties of 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid?
2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetic acid has a molecular weight of 446.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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]morpholin-4-yl]propyl]phenoxy]acetic acid is sourced from PubChem (CID 14347781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).