5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole

C24H15F4N3O2S2 — CID 147551093

IUPAC5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole
SMILESO=S(=O)(Cc1ncc(F)s1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-n3ccnc3)cccc2c1
InChIInChI=1S/C24H15F4N3O2S2/c25-22-12-30-23(34-22)13-35(32,33)17-5-7-18-15(10-17)2-1-3-19(18)20-6-4-16(24(26,27)28)11-21(20)31-9-8-29-14-31/h1-12,14H,13H2
InChIKeyFQUACSLUQSIRFZ-UHFFFAOYSA-N
MW517.53 g/mol
LogP6.28
Rot. Bonds5

About 5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole

5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole (PubChem CID 147551093) has the molecular formula C24H15F4N3O2S2 and a molecular weight of 517.53 g/mol. Its IUPAC name is 5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole
PubChem CID147551093
Molecular FormulaC24H15F4N3O2S2
Molecular Weight517.53 g/mol
Exact Mass517.05
IUPAC Name5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole
SMILESO=S(=O)(Cc1ncc(F)s1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-n3ccnc3)cccc2c1
InChIInChI=1S/C24H15F4N3O2S2/c25-22-12-30-23(34-22)13-35(32,33)17-5-7-18-15(10-17)2-1-3-19(18)20-6-4-16(24(26,27)28)11-21(20)31-9-8-29-14-31/h1-12,14H,13H2
InChIKeyFQUACSLUQSIRFZ-UHFFFAOYSA-N
XLogP6.28
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.53
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole (CID 147551093) is 5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole is O=S(=O)(Cc1ncc(F)s1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-n3ccnc3)cccc2c1.
What is the InChIKey of 5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole?
The InChIKey is FQUACSLUQSIRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F4N3O2S2/c25-22-12-30-23(34-22)13-35(32,33)17-5-7-18-15(10-17)2-1-3-19(18)20-6-4-16(24(26,27)28)11-21(20)31-9-8-29-14-31/h1-12,14H,13H2.
What are the key properties of 5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole?
5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole has a molecular weight of 517.53 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[5-[2-imidazol-1-yl-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 147551093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).