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

C9H5Br2NS — CID 68902732

IUPAC2-bromo-4-(3-bromophenyl)-1,3-thiazole
SMILESBrc1cccc(-c2csc(Br)n2)c1
InChIInChI=1S/C9H5Br2NS/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H
InChIKeyWXYVKXSAWLILLT-UHFFFAOYSA-N
MW319.02 g/mol
LogP4.34
Rot. Bonds1

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

2-bromo-4-(3-bromophenyl)-1,3-thiazole (PubChem CID 68902732) has the molecular formula C9H5Br2NS and a molecular weight of 319.02 g/mol. Its IUPAC name is 2-bromo-4-(3-bromophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(3-bromophenyl)-1,3-thiazole
PubChem CID68902732
Molecular FormulaC9H5Br2NS
Molecular Weight319.02 g/mol
Exact Mass316.85
IUPAC Name2-bromo-4-(3-bromophenyl)-1,3-thiazole
SMILESBrc1cccc(-c2csc(Br)n2)c1
InChIInChI=1S/C9H5Br2NS/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H
InChIKeyWXYVKXSAWLILLT-UHFFFAOYSA-N
XLogP4.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.02
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-bromophenyl)-1,3-thiazole?
The IUPAC name of 2-bromo-4-(3-bromophenyl)-1,3-thiazole (CID 68902732) is 2-bromo-4-(3-bromophenyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(3-bromophenyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(3-bromophenyl)-1,3-thiazole is Brc1cccc(-c2csc(Br)n2)c1.
What is the InChIKey of 2-bromo-4-(3-bromophenyl)-1,3-thiazole?
The InChIKey is WXYVKXSAWLILLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NS/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H.
What are the key properties of 2-bromo-4-(3-bromophenyl)-1,3-thiazole?
2-bromo-4-(3-bromophenyl)-1,3-thiazole has a molecular weight of 319.02 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-bromophenyl)-1,3-thiazole is sourced from PubChem (CID 68902732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).