4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole

C7H5Br3N2S2 — CID 158410850

IUPAC4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole
SMILESBrc1csc(Br)n1.Cc1nc(Br)cs1
InChIInChI=1S/C4H4BrNS.C3HBr2NS/c1-3-6-4(5)2-7-3;4-2-1-7-3(5)6-2/h2H,1H3;1H
InChIKeyGZHGMGISEDFLIL-UHFFFAOYSA-N
MW420.98 g/mol
LogP4.88
Rot. Bonds

About 4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole

4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole (PubChem CID 158410850) has the molecular formula C7H5Br3N2S2 and a molecular weight of 420.98 g/mol. Its IUPAC name is 4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole
PubChem CID158410850
Molecular FormulaC7H5Br3N2S2
Molecular Weight420.98 g/mol
Exact Mass417.74
IUPAC Name4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole
SMILESBrc1csc(Br)n1.Cc1nc(Br)cs1
InChIInChI=1S/C4H4BrNS.C3HBr2NS/c1-3-6-4(5)2-7-3;4-2-1-7-3(5)6-2/h2H,1H3;1H
InChIKeyGZHGMGISEDFLIL-UHFFFAOYSA-N
XLogP4.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.98
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole?
The IUPAC name of 4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole (CID 158410850) is 4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole?
The canonical SMILES for 4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole is Brc1csc(Br)n1.Cc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole?
The InChIKey is GZHGMGISEDFLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNS.C3HBr2NS/c1-3-6-4(5)2-7-3;4-2-1-7-3(5)6-2/h2H,1H3;1H.
What are the key properties of 4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole?
4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole has a molecular weight of 420.98 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole is sourced from PubChem (CID 158410850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).