4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole

C6H3BrN2S2 — CID 91027590

IUPAC4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESBrc1csc(-c2nccs2)n1
InChIInChI=1S/C6H3BrN2S2/c7-4-3-11-6(9-4)5-8-1-2-10-5/h1-3H
InChIKeyXKRJHPDBJMZLGK-UHFFFAOYSA-N
MW247.14 g/mol
LogP3.03
Rot. Bonds1

About 4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole

4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole (PubChem CID 91027590) has the molecular formula C6H3BrN2S2 and a molecular weight of 247.14 g/mol. Its IUPAC name is 4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole
PubChem CID91027590
Molecular FormulaC6H3BrN2S2
Molecular Weight247.14 g/mol
Exact Mass245.89
IUPAC Name4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESBrc1csc(-c2nccs2)n1
InChIInChI=1S/C6H3BrN2S2/c7-4-3-11-6(9-4)5-8-1-2-10-5/h1-3H
InChIKeyXKRJHPDBJMZLGK-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole (CID 91027590) is 4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole is Brc1csc(-c2nccs2)n1.
What is the InChIKey of 4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole?
The InChIKey is XKRJHPDBJMZLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2S2/c7-4-3-11-6(9-4)5-8-1-2-10-5/h1-3H.
What are the key properties of 4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole?
4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole has a molecular weight of 247.14 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1,3-thiazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 91027590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).