2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole

C17H14FNOS2 — CID 67621176

IUPAC2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole
SMILESCCOc1cccc(Sc2ccc(F)cc2)c1-c1nccs1
InChIInChI=1S/C17H14FNOS2/c1-2-20-14-4-3-5-15(16(14)17-19-10-11-21-17)22-13-8-6-12(18)7-9-13/h3-11H,2H2,1H3
InChIKeyHEECMHGINXKGTN-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.50
Rot. Bonds5

About 2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole

2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole (PubChem CID 67621176) has the molecular formula C17H14FNOS2 and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole
PubChem CID67621176
Molecular FormulaC17H14FNOS2
Molecular Weight331.44 g/mol
Exact Mass331.05
IUPAC Name2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole
SMILESCCOc1cccc(Sc2ccc(F)cc2)c1-c1nccs1
InChIInChI=1S/C17H14FNOS2/c1-2-20-14-4-3-5-15(16(14)17-19-10-11-21-17)22-13-8-6-12(18)7-9-13/h3-11H,2H2,1H3
InChIKeyHEECMHGINXKGTN-UHFFFAOYSA-N
XLogP5.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole?
The IUPAC name of 2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole (CID 67621176) is 2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole?
The canonical SMILES for 2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole is CCOc1cccc(Sc2ccc(F)cc2)c1-c1nccs1.
What is the InChIKey of 2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole?
The InChIKey is HEECMHGINXKGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS2/c1-2-20-14-4-3-5-15(16(14)17-19-10-11-21-17)22-13-8-6-12(18)7-9-13/h3-11H,2H2,1H3.
What are the key properties of 2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole?
2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole has a molecular weight of 331.44 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-6-(4-fluorophenyl)sulfanylphenyl]-1,3-thiazole is sourced from PubChem (CID 67621176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).