4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole

C6H2Br2N2S2 — CID 66728317

IUPAC4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole
SMILESBrc1ncsc1-c1scnc1Br
InChIInChI=1S/C6H2Br2N2S2/c7-5-3(11-1-9-5)4-6(8)10-2-12-4/h1-2H
InChIKeyXRLLAFRUWXQXKE-UHFFFAOYSA-N
MW326.04 g/mol
LogP3.79
Rot. Bonds1

About 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole

4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole (PubChem CID 66728317) has the molecular formula C6H2Br2N2S2 and a molecular weight of 326.04 g/mol. Its IUPAC name is 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole
PubChem CID66728317
Molecular FormulaC6H2Br2N2S2
Molecular Weight326.04 g/mol
Exact Mass323.80
IUPAC Name4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole
SMILESBrc1ncsc1-c1scnc1Br
InChIInChI=1S/C6H2Br2N2S2/c7-5-3(11-1-9-5)4-6(8)10-2-12-4/h1-2H
InChIKeyXRLLAFRUWXQXKE-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

4-Bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole
CID 159325263

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole (CID 66728317) is 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole is Brc1ncsc1-c1scnc1Br.
What is the InChIKey of 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole?
The InChIKey is XRLLAFRUWXQXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2S2/c7-5-3(11-1-9-5)4-6(8)10-2-12-4/h1-2H.
What are the key properties of 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole?
4-bromo-5-(4-bromo-1,3-thiazol-5-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-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 66728317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).