5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole

C20H15NO2S2 — CID 57319325

IUPAC5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2ccc3cc(-c4cncs4)ccc3c2)cc1
InChIInChI=1S/C20H15NO2S2/c1-25(22,23)19-8-6-14(7-9-19)15-2-3-17-11-18(5-4-16(17)10-15)20-12-21-13-24-20/h2-13H,1H3
InChIKeyKAINRBYJDMDWTP-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.03
Rot. Bonds3

About 5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole

5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole (PubChem CID 57319325) has the molecular formula C20H15NO2S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole
PubChem CID57319325
Molecular FormulaC20H15NO2S2
Molecular Weight365.48 g/mol
Exact Mass365.05
IUPAC Name5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2ccc3cc(-c4cncs4)ccc3c2)cc1
InChIInChI=1S/C20H15NO2S2/c1-25(22,23)19-8-6-14(7-9-19)15-2-3-17-11-18(5-4-16(17)10-15)20-12-21-13-24-20/h2-13H,1H3
InChIKeyKAINRBYJDMDWTP-UHFFFAOYSA-N
XLogP5.03
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole?
The IUPAC name of 5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole (CID 57319325) is 5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole is CS(=O)(=O)c1ccc(-c2ccc3cc(-c4cncs4)ccc3c2)cc1.
What is the InChIKey of 5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole?
The InChIKey is KAINRBYJDMDWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S2/c1-25(22,23)19-8-6-14(7-9-19)15-2-3-17-11-18(5-4-16(17)10-15)20-12-21-13-24-20/h2-13H,1H3.
What are the key properties of 5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole?
5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole has a molecular weight of 365.48 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole is sourced from PubChem (CID 57319325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).