4,5-dibromo-2-imidazol-1-yl-1,3-thiazole

C6H3Br2N3S — CID 66521025

IUPAC4,5-dibromo-2-imidazol-1-yl-1,3-thiazole
SMILESBrc1nc(-n2ccnc2)sc1Br
InChIInChI=1S/C6H3Br2N3S/c7-4-5(8)12-6(10-4)11-2-1-9-3-11/h1-3H
InChIKeyCJPOFSBXQPKOOA-UHFFFAOYSA-N
MW308.99 g/mol
LogP2.85
Rot. Bonds1

About 4,5-dibromo-2-imidazol-1-yl-1,3-thiazole

4,5-dibromo-2-imidazol-1-yl-1,3-thiazole (PubChem CID 66521025) has the molecular formula C6H3Br2N3S and a molecular weight of 308.99 g/mol. Its IUPAC name is 4,5-dibromo-2-imidazol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dibromo-2-imidazol-1-yl-1,3-thiazole
PubChem CID66521025
Molecular FormulaC6H3Br2N3S
Molecular Weight308.99 g/mol
Exact Mass306.84
IUPAC Name4,5-dibromo-2-imidazol-1-yl-1,3-thiazole
SMILESBrc1nc(-n2ccnc2)sc1Br
InChIInChI=1S/C6H3Br2N3S/c7-4-5(8)12-6(10-4)11-2-1-9-3-11/h1-3H
InChIKeyCJPOFSBXQPKOOA-UHFFFAOYSA-N
XLogP2.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.99
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-imidazol-1-yl-1,3-thiazole?
The IUPAC name of 4,5-dibromo-2-imidazol-1-yl-1,3-thiazole (CID 66521025) is 4,5-dibromo-2-imidazol-1-yl-1,3-thiazole.
What is the SMILES notation for 4,5-dibromo-2-imidazol-1-yl-1,3-thiazole?
The canonical SMILES for 4,5-dibromo-2-imidazol-1-yl-1,3-thiazole is Brc1nc(-n2ccnc2)sc1Br.
What is the InChIKey of 4,5-dibromo-2-imidazol-1-yl-1,3-thiazole?
The InChIKey is CJPOFSBXQPKOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2N3S/c7-4-5(8)12-6(10-4)11-2-1-9-3-11/h1-3H.
What are the key properties of 4,5-dibromo-2-imidazol-1-yl-1,3-thiazole?
4,5-dibromo-2-imidazol-1-yl-1,3-thiazole has a molecular weight of 308.99 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-imidazol-1-yl-1,3-thiazole is sourced from PubChem (CID 66521025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).