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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Related Compounds

6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]naphthalen-2-ol
CID 25112991
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate
CID 137047911
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
2-[2-[4-[9-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethanol
CID 102331818
4-[4-(2-phenoxyethoxy)phenyl]-1,3-thiazole-2-carbaldehyde
CID 3676431
2-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole
CID 20944735
4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole
CID 4031287
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline
CID 73442994
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700

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).