4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole

C17H13BrFNS — CID 79831720

IUPAC4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole
SMILESCc1ccc(F)cc1-c1nc(-c2ccc(Br)cc2)c(C)s1
InChIInChI=1S/C17H13BrFNS/c1-10-3-8-14(19)9-15(10)17-20-16(11(2)21-17)12-4-6-13(18)7-5-12/h3-9H,1-2H3
InChIKeyCXOGOYGURVKZRZ-UHFFFAOYSA-N
MW362.27 g/mol
LogP6.00
Rot. Bonds2

About 4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole

4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole (PubChem CID 79831720) has the molecular formula C17H13BrFNS and a molecular weight of 362.27 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole
PubChem CID79831720
Molecular FormulaC17H13BrFNS
Molecular Weight362.27 g/mol
Exact Mass360.99
IUPAC Name4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole
SMILESCc1ccc(F)cc1-c1nc(-c2ccc(Br)cc2)c(C)s1
InChIInChI=1S/C17H13BrFNS/c1-10-3-8-14(19)9-15(10)17-20-16(11(2)21-17)12-4-6-13(18)7-5-12/h3-9H,1-2H3
InChIKeyCXOGOYGURVKZRZ-UHFFFAOYSA-N
XLogP6.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.27
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole (CID 79831720) is 4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole is Cc1ccc(F)cc1-c1nc(-c2ccc(Br)cc2)c(C)s1.
What is the InChIKey of 4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole?
The InChIKey is CXOGOYGURVKZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNS/c1-10-3-8-14(19)9-15(10)17-20-16(11(2)21-17)12-4-6-13(18)7-5-12/h3-9H,1-2H3.
What are the key properties of 4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole?
4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole has a molecular weight of 362.27 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 79831720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).