4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole

C22H16FNOS — CID 130289103

IUPAC4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole
SMILESCOc1cc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)ccc1F
InChIInChI=1S/C22H16FNOS/c1-25-21-13-17(10-11-19(21)23)16-8-5-9-18(12-16)20-14-26-22(24-20)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyXAGSDEDRYQNAJJ-UHFFFAOYSA-N
MW361.44 g/mol
LogP6.29
Rot. Bonds4

About 4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole

4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole (PubChem CID 130289103) has the molecular formula C22H16FNOS and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole
PubChem CID130289103
Molecular FormulaC22H16FNOS
Molecular Weight361.44 g/mol
Exact Mass361.09
IUPAC Name4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole
SMILESCOc1cc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)ccc1F
InChIInChI=1S/C22H16FNOS/c1-25-21-13-17(10-11-19(21)23)16-8-5-9-18(12-16)20-14-26-22(24-20)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyXAGSDEDRYQNAJJ-UHFFFAOYSA-N
XLogP6.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole (CID 130289103) is 4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole is COc1cc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)ccc1F.
What is the InChIKey of 4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole?
The InChIKey is XAGSDEDRYQNAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNOS/c1-25-21-13-17(10-11-19(21)23)16-8-5-9-18(12-16)20-14-26-22(24-20)15-6-3-2-4-7-15/h2-14H,1H3.
What are the key properties of 4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole?
4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole has a molecular weight of 361.44 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluoro-3-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 130289103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).