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

C17H13BrFNS — CID 79831802

IUPAC4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
SMILESCc1cc(-c2nc(-c3cccc(Br)c3)c(C)s2)ccc1F
InChIInChI=1S/C17H13BrFNS/c1-10-8-13(6-7-15(10)19)17-20-16(11(2)21-17)12-4-3-5-14(18)9-12/h3-9H,1-2H3
InChIKeyXCXGBLXYOSZQFX-UHFFFAOYSA-N
MW362.27 g/mol
LogP6.00
Rot. Bonds2

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

4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole (PubChem CID 79831802) has the molecular formula C17H13BrFNS and a molecular weight of 362.27 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
PubChem CID79831802
Molecular FormulaC17H13BrFNS
Molecular Weight362.27 g/mol
Exact Mass360.99
IUPAC Name4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
SMILESCc1cc(-c2nc(-c3cccc(Br)c3)c(C)s2)ccc1F
InChIInChI=1S/C17H13BrFNS/c1-10-8-13(6-7-15(10)19)17-20-16(11(2)21-17)12-4-3-5-14(18)9-12/h3-9H,1-2H3
InChIKeyXCXGBLXYOSZQFX-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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Related Compounds

4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole
CID 107932634
2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole
CID 79831085
4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79839270
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole
CID 78907473
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 79838986
4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole
CID 79840119
4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole
CID 79838983
4-(3-bromophenyl)-5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole
CID 79968729
3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol
CID 28942281
2-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 114079045

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole (CID 79831802) is 4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole is Cc1cc(-c2nc(-c3cccc(Br)c3)c(C)s2)ccc1F.
What is the InChIKey of 4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole?
The InChIKey is XCXGBLXYOSZQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNS/c1-10-8-13(6-7-15(10)19)17-20-16(11(2)21-17)12-4-3-5-14(18)9-12/h3-9H,1-2H3.
What are the key properties of 4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole?
4-(3-bromophenyl)-2-(4-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-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 79831802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).