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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-4,5-diphenylthiazole
CID 77365
2-[3-(4-Bromo-phenyl)-propyl]-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole
CID 22912100
2-(3-Bromophenyl)-4-phenyl-1,3-thiazole
CID 71456084
2-(4-Bromo-2-methylphenyl)-4-phenyl-1,3-thiazole
CID 71450756
Thiazole, 4,5-diphenyl-2-(trifluoromethyl)-
CID 13015386
4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole
CID 155674112
4-Methyl-2,5-diphenyl-1,3-thiazole
CID 8962252
5-Bromomethyl-4-methyl-2-phenyl-thiazole
CID 2795493
Cambridge id 5310289
CID 2840736
Cambridge id 5349773
CID 2842917
(E)-2-(4-(4-bromophenyl)thiazol-2-yl)-3-(4-fluorophenyl)acrylonitrile
CID 5942929
(2E)-2-[4-(4-Bromophenyl)-1,3-thiazol-2-YL]-3-(3-fluorophenyl)prop-2-enenitrile
CID 6247421

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).