6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole

C19H16FN3S — CID 122510486

IUPAC6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole
SMILESCc1cc(-c2nc(C)n(C)c2-c2ccc3ncsc3c2)ccc1F
InChIInChI=1S/C19H16FN3S/c1-11-8-13(4-6-15(11)20)18-19(23(3)12(2)22-18)14-5-7-16-17(9-14)24-10-21-16/h4-10H,1-3H3
InChIKeyGSKUEQFEFVNGEJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.12
Rot. Bonds2

About 6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole

6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole (PubChem CID 122510486) has the molecular formula C19H16FN3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole
PubChem CID122510486
Molecular FormulaC19H16FN3S
Molecular Weight337.42 g/mol
Exact Mass337.10
IUPAC Name6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole
SMILESCc1cc(-c2nc(C)n(C)c2-c2ccc3ncsc3c2)ccc1F
InChIInChI=1S/C19H16FN3S/c1-11-8-13(4-6-15(11)20)18-19(23(3)12(2)22-18)14-5-7-16-17(9-14)24-10-21-16/h4-10H,1-3H3
InChIKeyGSKUEQFEFVNGEJ-UHFFFAOYSA-N
XLogP5.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole?
The IUPAC name of 6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole (CID 122510486) is 6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole?
The canonical SMILES for 6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole is Cc1cc(-c2nc(C)n(C)c2-c2ccc3ncsc3c2)ccc1F.
What is the InChIKey of 6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole?
The InChIKey is GSKUEQFEFVNGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3S/c1-11-8-13(4-6-15(11)20)18-19(23(3)12(2)22-18)14-5-7-16-17(9-14)24-10-21-16/h4-10H,1-3H3.
What are the key properties of 6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole?
6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole has a molecular weight of 337.42 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluoro-3-methylphenyl)-2,3-dimethylimidazol-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 122510486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).