2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole

C16H11Br2NS — CID 107916033

IUPAC2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1Br
InChIInChI=1S/C16H11Br2NS/c1-10-2-3-12(8-14(10)18)16-19-15(9-20-16)11-4-6-13(17)7-5-11/h2-9H,1H3
InChIKeyMJAZQSHGXAIXGQ-UHFFFAOYSA-N
MW409.15 g/mol
LogP6.31
Rot. Bonds2

About 2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole

2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole (PubChem CID 107916033) has the molecular formula C16H11Br2NS and a molecular weight of 409.15 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
PubChem CID107916033
Molecular FormulaC16H11Br2NS
Molecular Weight409.15 g/mol
Exact Mass406.90
IUPAC Name2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1Br
InChIInChI=1S/C16H11Br2NS/c1-10-2-3-12(8-14(10)18)16-19-15(9-20-16)11-4-6-13(17)7-5-11/h2-9H,1H3
InChIKeyMJAZQSHGXAIXGQ-UHFFFAOYSA-N
XLogP6.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.15
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828
2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine
CID 107916044
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 78907479
4-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 103083651
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole
CID 79832425
[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane
CID 102334757
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 79839724
2-bromo-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 39164069
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole (CID 107916033) is 2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole is Cc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole?
The InChIKey is MJAZQSHGXAIXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NS/c1-10-2-3-12(8-14(10)18)16-19-15(9-20-16)11-4-6-13(17)7-5-11/h2-9H,1H3.
What are the key properties of 2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole?
2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole has a molecular weight of 409.15 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole is sourced from PubChem (CID 107916033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).