6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol

C23H31F3N2O3S — CID 19974179

IUPAC6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol
SMILESCC(Cc1ccc(OCCCCCCO)cc1)N1CCOC(c2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C23H31F3N2O3S/c1-17(14-18-6-8-19(9-7-18)30-12-5-3-2-4-11-29)28-10-13-31-21(15-28)20-16-32-22(27-20)23(24,25)26/h6-9,16-17,21,29H,2-5,10-15H2,1H3
InChIKeyQMUSVLQBYQUGNF-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.10
Rot. Bonds11

About 6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol

6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol (PubChem CID 19974179) has the molecular formula C23H31F3N2O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is 6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol
PubChem CID19974179
Molecular FormulaC23H31F3N2O3S
Molecular Weight472.57 g/mol
Exact Mass472.20
IUPAC Name6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol
SMILESCC(Cc1ccc(OCCCCCCO)cc1)N1CCOC(c2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C23H31F3N2O3S/c1-17(14-18-6-8-19(9-7-18)30-12-5-3-2-4-11-29)28-10-13-31-21(15-28)20-16-32-22(27-20)23(24,25)26/h6-9,16-17,21,29H,2-5,10-15H2,1H3
InChIKeyQMUSVLQBYQUGNF-UHFFFAOYSA-N
XLogP5.10
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol?
The IUPAC name of 6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol (CID 19974179) is 6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol is CC(Cc1ccc(OCCCCCCO)cc1)N1CCOC(c2csc(C(F)(F)F)n2)C1.
What is the InChIKey of 6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol?
The InChIKey is QMUSVLQBYQUGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N2O3S/c1-17(14-18-6-8-19(9-7-18)30-12-5-3-2-4-11-29)28-10-13-31-21(15-28)20-16-32-22(27-20)23(24,25)26/h6-9,16-17,21,29H,2-5,10-15H2,1H3.
What are the key properties of 6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol?
6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol has a molecular weight of 472.57 g/mol, XLogP of 5.10, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]hexan-1-ol is sourced from PubChem (CID 19974179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).