2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole

C17H14BrNS — CID 79832425

IUPAC2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3ccccc3Br)n2)cc1C
InChIInChI=1S/C17H14BrNS/c1-11-7-8-13(9-12(11)2)16-10-20-17(19-16)14-5-3-4-6-15(14)18/h3-10H,1-2H3
InChIKeyWWHANBYGXYTZEN-UHFFFAOYSA-N
MW344.28 g/mol
LogP5.86
Rot. Bonds2

About 2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole

2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole (PubChem CID 79832425) has the molecular formula C17H14BrNS and a molecular weight of 344.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole
PubChem CID79832425
Molecular FormulaC17H14BrNS
Molecular Weight344.28 g/mol
Exact Mass343.00
IUPAC Name2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3ccccc3Br)n2)cc1C
InChIInChI=1S/C17H14BrNS/c1-11-7-8-13(9-12(11)2)16-10-20-17(19-16)14-5-3-4-6-15(14)18/h3-10H,1-2H3
InChIKeyWWHANBYGXYTZEN-UHFFFAOYSA-N
XLogP5.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.28
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-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-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983796
2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole
CID 114083072
2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 54593856
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720
2-[3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]isoindole-1,3-dione
CID 168518353
2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 79831089
2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
CID 107916033
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole
CID 46339242
4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 103597395
2-bromo-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 39164069
4-[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 107915325

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole (CID 79832425) is 2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(-c3ccccc3Br)n2)cc1C.
What is the InChIKey of 2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole?
The InChIKey is WWHANBYGXYTZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNS/c1-11-7-8-13(9-12(11)2)16-10-20-17(19-16)14-5-3-4-6-15(14)18/h3-10H,1-2H3.
What are the key properties of 2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole?
2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole has a molecular weight of 344.28 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 79832425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).