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

C17H13BrFNS — CID 107113804

IUPAC4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
SMILESCc1cccc(-c2nc(-c3ccccc3Br)c(C)s2)c1F
InChIInChI=1S/C17H13BrFNS/c1-10-6-5-8-13(15(10)19)17-20-16(11(2)21-17)12-7-3-4-9-14(12)18/h3-9H,1-2H3
InChIKeyIJRIZSVKWBPBNY-UHFFFAOYSA-N
MW362.27 g/mol
LogP6.00
Rot. Bonds2

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

4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole (PubChem CID 107113804) has the molecular formula C17H13BrFNS and a molecular weight of 362.27 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
PubChem CID107113804
Molecular FormulaC17H13BrFNS
Molecular Weight362.27 g/mol
Exact Mass360.99
IUPAC Name4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
SMILESCc1cccc(-c2nc(-c3ccccc3Br)c(C)s2)c1F
InChIInChI=1S/C17H13BrFNS/c1-10-6-5-8-13(15(10)19)17-20-16(11(2)21-17)12-7-3-4-9-14(12)18/h3-9H,1-2H3
InChIKeyIJRIZSVKWBPBNY-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-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole (CID 107113804) is 4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole is Cc1cccc(-c2nc(-c3ccccc3Br)c(C)s2)c1F.
What is the InChIKey of 4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole?
The InChIKey is IJRIZSVKWBPBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNS/c1-10-6-5-8-13(15(10)19)17-20-16(11(2)21-17)12-7-3-4-9-14(12)18/h3-9H,1-2H3.
What are the key properties of 4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole?
4-(2-bromophenyl)-2-(2-fluoro-3-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-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 107113804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).