4,5-dibromo-2-cyclopropyl-1,3-thiazole

C6H5Br2NS — CID 66521425

IUPAC4,5-dibromo-2-cyclopropyl-1,3-thiazole
SMILESBrc1nc(C2CC2)sc1Br
InChIInChI=1S/C6H5Br2NS/c7-4-5(8)10-6(9-4)3-1-2-3/h3H,1-2H2
InChIKeyRFOUCKSFANHYMA-UHFFFAOYSA-N
MW282.99 g/mol
LogP3.55
Rot. Bonds1

About 4,5-dibromo-2-cyclopropyl-1,3-thiazole

4,5-dibromo-2-cyclopropyl-1,3-thiazole (PubChem CID 66521425) has the molecular formula C6H5Br2NS and a molecular weight of 282.99 g/mol. Its IUPAC name is 4,5-dibromo-2-cyclopropyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dibromo-2-cyclopropyl-1,3-thiazole
PubChem CID66521425
Molecular FormulaC6H5Br2NS
Molecular Weight282.99 g/mol
Exact Mass280.85
IUPAC Name4,5-dibromo-2-cyclopropyl-1,3-thiazole
SMILESBrc1nc(C2CC2)sc1Br
InChIInChI=1S/C6H5Br2NS/c7-4-5(8)10-6(9-4)3-1-2-3/h3H,1-2H2
InChIKeyRFOUCKSFANHYMA-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.99
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-cyclopropyl-1,3-thiazole?
The IUPAC name of 4,5-dibromo-2-cyclopropyl-1,3-thiazole (CID 66521425) is 4,5-dibromo-2-cyclopropyl-1,3-thiazole.
What is the SMILES notation for 4,5-dibromo-2-cyclopropyl-1,3-thiazole?
The canonical SMILES for 4,5-dibromo-2-cyclopropyl-1,3-thiazole is Brc1nc(C2CC2)sc1Br.
What is the InChIKey of 4,5-dibromo-2-cyclopropyl-1,3-thiazole?
The InChIKey is RFOUCKSFANHYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2NS/c7-4-5(8)10-6(9-4)3-1-2-3/h3H,1-2H2.
What are the key properties of 4,5-dibromo-2-cyclopropyl-1,3-thiazole?
4,5-dibromo-2-cyclopropyl-1,3-thiazole has a molecular weight of 282.99 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-cyclopropyl-1,3-thiazole is sourced from PubChem (CID 66521425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).