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

C6H2Br2N2S2 — CID 11056465

IUPAC4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole
SMILESBrc1csc(-c2nc(Br)cs2)n1
InChIInChI=1S/C6H2Br2N2S2/c7-3-1-11-5(9-3)6-10-4(8)2-12-6/h1-2H
InChIKeyLTYMEFGYNZAQAC-UHFFFAOYSA-N
MW326.04 g/mol
LogP3.79
Rot. Bonds1

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

4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole (PubChem CID 11056465) has the molecular formula C6H2Br2N2S2 and a molecular weight of 326.04 g/mol. Its IUPAC name is 4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole
PubChem CID11056465
Molecular FormulaC6H2Br2N2S2
Molecular Weight326.04 g/mol
Exact Mass323.80
IUPAC Name4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole
SMILESBrc1csc(-c2nc(Br)cs2)n1
InChIInChI=1S/C6H2Br2N2S2/c7-3-1-11-5(9-3)6-10-4(8)2-12-6/h1-2H
InChIKeyLTYMEFGYNZAQAC-UHFFFAOYSA-N
XLogP3.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.04
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 158410850
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CID 159000091
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CID 178076448
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CID 85534285
CID 85534285

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole (CID 11056465) is 4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole is Brc1csc(-c2nc(Br)cs2)n1.
What is the InChIKey of 4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole?
The InChIKey is LTYMEFGYNZAQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2S2/c7-3-1-11-5(9-3)6-10-4(8)2-12-6/h1-2H.
What are the key properties of 4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole?
4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole has a molecular weight of 326.04 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-bromo-1,3-thiazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 11056465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).