4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol

C24H23FN2O4S2 — CID 129193988

IUPAC4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2csc(-c3nc(-c4ccc(OCCOCCOCCF)cc4)cs3)n2)cc1
InChIInChI=1S/C24H23FN2O4S2/c25-9-10-29-11-12-30-13-14-31-20-7-3-18(4-8-20)22-16-33-24(27-22)23-26-21(15-32-23)17-1-5-19(28)6-2-17/h1-8,15-16,28H,9-14H2
InChIKeyZZAFWMSMJAWMEL-UHFFFAOYSA-N
MW486.59 g/mol
LogP5.69
Rot. Bonds12

About 4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol

4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol (PubChem CID 129193988) has the molecular formula C24H23FN2O4S2 and a molecular weight of 486.59 g/mol. Its IUPAC name is 4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol
PubChem CID129193988
Molecular FormulaC24H23FN2O4S2
Molecular Weight486.59 g/mol
Exact Mass486.11
IUPAC Name4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2csc(-c3nc(-c4ccc(OCCOCCOCCF)cc4)cs3)n2)cc1
InChIInChI=1S/C24H23FN2O4S2/c25-9-10-29-11-12-30-13-14-31-20-7-3-18(4-8-20)22-16-33-24(27-22)23-26-21(15-32-23)17-1-5-19(28)6-2-17/h1-8,15-16,28H,9-14H2
InChIKeyZZAFWMSMJAWMEL-UHFFFAOYSA-N
XLogP5.69
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol (CID 129193988) is 4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol is Oc1ccc(-c2csc(-c3nc(-c4ccc(OCCOCCOCCF)cc4)cs3)n2)cc1.
What is the InChIKey of 4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol?
The InChIKey is ZZAFWMSMJAWMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4S2/c25-9-10-29-11-12-30-13-14-31-20-7-3-18(4-8-20)22-16-33-24(27-22)23-26-21(15-32-23)17-1-5-19(28)6-2-17/h1-8,15-16,28H,9-14H2.
What are the key properties of 4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol?
4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol has a molecular weight of 486.59 g/mol, XLogP of 5.69, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 129193988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).