2,4-dibromo-1,3-thiazole

C6H2Br4N2S2 — CID 178076448

IUPAC2,4-dibromo-1,3-thiazole
SMILESBrc1csc(Br)n1.Brc1csc(Br)n1
InChIInChI=1S/2C3HBr2NS/c2*4-2-1-7-3(5)6-2/h2*1H
InChIKeyCDPDLDKBUJJCDC-UHFFFAOYSA-N
MW485.85 g/mol
LogP5.34
Rot. Bonds

About 2,4-dibromo-1,3-thiazole

2,4-dibromo-1,3-thiazole (PubChem CID 178076448) has the molecular formula C6H2Br4N2S2 and a molecular weight of 485.85 g/mol. Its IUPAC name is 2,4-dibromo-1,3-thiazole.

Molecular Properties

Compound Name2,4-dibromo-1,3-thiazole
PubChem CID178076448
Molecular FormulaC6H2Br4N2S2
Molecular Weight485.85 g/mol
Exact Mass481.64
IUPAC Name2,4-dibromo-1,3-thiazole
SMILESBrc1csc(Br)n1.Brc1csc(Br)n1
InChIInChI=1S/2C3HBr2NS/c2*4-2-1-7-3(5)6-2/h2*1H
InChIKeyCDPDLDKBUJJCDC-UHFFFAOYSA-N
XLogP5.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.85
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1,3-thiazole?
The IUPAC name of 2,4-dibromo-1,3-thiazole (CID 178076448) is 2,4-dibromo-1,3-thiazole.
What is the SMILES notation for 2,4-dibromo-1,3-thiazole?
The canonical SMILES for 2,4-dibromo-1,3-thiazole is Brc1csc(Br)n1.Brc1csc(Br)n1.
What is the InChIKey of 2,4-dibromo-1,3-thiazole?
The InChIKey is CDPDLDKBUJJCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3HBr2NS/c2*4-2-1-7-3(5)6-2/h2*1H.
What are the key properties of 2,4-dibromo-1,3-thiazole?
2,4-dibromo-1,3-thiazole has a molecular weight of 485.85 g/mol, XLogP of 5.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1,3-thiazole is sourced from PubChem (CID 178076448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).