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

C15H9Br2NS — CID 78907524

IUPAC4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
SMILESBrc1ccc(-c2nc(-c3cccc(Br)c3)cs2)cc1
InChIInChI=1S/C15H9Br2NS/c16-12-6-4-10(5-7-12)15-18-14(9-19-15)11-2-1-3-13(17)8-11/h1-9H
InChIKeyXDFIPRIEPDTZLM-UHFFFAOYSA-N
MW395.12 g/mol
LogP6.00
Rot. Bonds2

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

4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole (PubChem CID 78907524) has the molecular formula C15H9Br2NS and a molecular weight of 395.12 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
PubChem CID78907524
Molecular FormulaC15H9Br2NS
Molecular Weight395.12 g/mol
Exact Mass392.88
IUPAC Name4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
SMILESBrc1ccc(-c2nc(-c3cccc(Br)c3)cs2)cc1
InChIInChI=1S/C15H9Br2NS/c16-12-6-4-10(5-7-12)15-18-14(9-19-15)11-2-1-3-13(17)8-11/h1-9H
InChIKeyXDFIPRIEPDTZLM-UHFFFAOYSA-N
XLogP6.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.12
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907532
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074
4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole
CID 79838979
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720
2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 78907588
4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide
CID 137032183
4-(3-bromophenyl)-2-[5-(3-bromophenyl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 51045264
4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole
CID 113453495
2-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79004047
4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828
2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
CID 61269008
(3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
CID 9421303

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole (CID 78907524) is 4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole is Brc1ccc(-c2nc(-c3cccc(Br)c3)cs2)cc1.
What is the InChIKey of 4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole?
The InChIKey is XDFIPRIEPDTZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2NS/c16-12-6-4-10(5-7-12)15-18-14(9-19-15)11-2-1-3-13(17)8-11/h1-9H.
What are the key properties of 4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole?
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole has a molecular weight of 395.12 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-bromophenyl)-1,3-thiazole is sourced from PubChem (CID 78907524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).