4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol

C19H23F3N2O4S — CID 14347773

IUPAC4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol
SMILESCC(Cc1ccc(OCCO)cc1)N1CCOC(O)(c2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C19H23F3N2O4S/c1-13(10-14-2-4-15(5-3-14)27-9-7-25)24-6-8-28-18(26,12-24)16-11-29-17(23-16)19(20,21)22/h2-5,11,13,25-26H,6-10,12H2,1H3
InChIKeyDCHMBJUAGIMLFL-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.64
Rot. Bonds7

About 4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol

4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol (PubChem CID 14347773) has the molecular formula C19H23F3N2O4S and a molecular weight of 432.46 g/mol. Its IUPAC name is 4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol.

Molecular Properties

Compound Name4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol
PubChem CID14347773
Molecular FormulaC19H23F3N2O4S
Molecular Weight432.46 g/mol
Exact Mass432.13
IUPAC Name4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol
SMILESCC(Cc1ccc(OCCO)cc1)N1CCOC(O)(c2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C19H23F3N2O4S/c1-13(10-14-2-4-15(5-3-14)27-9-7-25)24-6-8-28-18(26,12-24)16-11-29-17(23-16)19(20,21)22/h2-5,11,13,25-26H,6-10,12H2,1H3
InChIKeyDCHMBJUAGIMLFL-UHFFFAOYSA-N
XLogP2.64
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol?
The IUPAC name of 4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol (CID 14347773) is 4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol.
What is the SMILES notation for 4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol?
The canonical SMILES for 4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol is CC(Cc1ccc(OCCO)cc1)N1CCOC(O)(c2csc(C(F)(F)F)n2)C1.
What is the InChIKey of 4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol?
The InChIKey is DCHMBJUAGIMLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O4S/c1-13(10-14-2-4-15(5-3-14)27-9-7-25)24-6-8-28-18(26,12-24)16-11-29-17(23-16)19(20,21)22/h2-5,11,13,25-26H,6-10,12H2,1H3.
What are the key properties of 4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol?
4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol has a molecular weight of 432.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol is sourced from PubChem (CID 14347773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).