4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol

C23H31F3N2O4S — CID 14347775

IUPAC4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol
SMILESCC(Cc1ccc(OCCCCCCO)cc1)N1CCOC(O)(c2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C23H31F3N2O4S/c1-17(14-18-6-8-19(9-7-18)31-12-5-3-2-4-11-29)28-10-13-32-22(30,16-28)20-15-33-21(27-20)23(24,25)26/h6-9,15,17,29-30H,2-5,10-14,16H2,1H3
InChIKeySQWMOCHOEFCNMP-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.20
Rot. Bonds11

About 4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol

4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol (PubChem CID 14347775) has the molecular formula C23H31F3N2O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is 4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol.

Molecular Properties

Compound Name4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol
PubChem CID14347775
Molecular FormulaC23H31F3N2O4S
Molecular Weight488.57 g/mol
Exact Mass488.20
IUPAC Name4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol
SMILESCC(Cc1ccc(OCCCCCCO)cc1)N1CCOC(O)(c2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C23H31F3N2O4S/c1-17(14-18-6-8-19(9-7-18)31-12-5-3-2-4-11-29)28-10-13-32-22(30,16-28)20-15-33-21(27-20)23(24,25)26/h6-9,15,17,29-30H,2-5,10-14,16H2,1H3
InChIKeySQWMOCHOEFCNMP-UHFFFAOYSA-N
XLogP4.20
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol?
The IUPAC name of 4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol (CID 14347775) is 4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol.
What is the SMILES notation for 4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol?
The canonical SMILES for 4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol is CC(Cc1ccc(OCCCCCCO)cc1)N1CCOC(O)(c2csc(C(F)(F)F)n2)C1.
What is the InChIKey of 4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol?
The InChIKey is SQWMOCHOEFCNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N2O4S/c1-17(14-18-6-8-19(9-7-18)31-12-5-3-2-4-11-29)28-10-13-32-22(30,16-28)20-15-33-21(27-20)23(24,25)26/h6-9,15,17,29-30H,2-5,10-14,16H2,1H3.
What are the key properties of 4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol?
4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol has a molecular weight of 488.57 g/mol, XLogP of 4.20, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(6-hydroxyhexoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol is sourced from PubChem (CID 14347775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).