5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole

C18H12BrF2NS — CID 67752747

IUPAC5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCc1ccccc1C=C(F)c1nc(-c2ccc(F)cc2)c(Br)s1
InChIInChI=1S/C18H12BrF2NS/c1-11-4-2-3-5-13(11)10-15(21)18-22-16(17(19)23-18)12-6-8-14(20)9-7-12/h2-10H,1H3
InChIKeyZTVFWEUAJBOHLI-UHFFFAOYSA-N
MW392.27 g/mol
LogP6.49
Rot. Bonds3

About 5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole

5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 67752747) has the molecular formula C18H12BrF2NS and a molecular weight of 392.27 g/mol. Its IUPAC name is 5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID67752747
Molecular FormulaC18H12BrF2NS
Molecular Weight392.27 g/mol
Exact Mass390.98
IUPAC Name5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCc1ccccc1C=C(F)c1nc(-c2ccc(F)cc2)c(Br)s1
InChIInChI=1S/C18H12BrF2NS/c1-11-4-2-3-5-13(11)10-15(21)18-22-16(17(19)23-18)12-6-8-14(20)9-7-12/h2-10H,1H3
InChIKeyZTVFWEUAJBOHLI-UHFFFAOYSA-N
XLogP6.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.27
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole (CID 67752747) is 5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole is Cc1ccccc1C=C(F)c1nc(-c2ccc(F)cc2)c(Br)s1.
What is the InChIKey of 5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is ZTVFWEUAJBOHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF2NS/c1-11-4-2-3-5-13(11)10-15(21)18-22-16(17(19)23-18)12-6-8-14(20)9-7-12/h2-10H,1H3.
What are the key properties of 5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole?
5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 392.27 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 67752747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).