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

C5H5Br2NS — CID 66521383

IUPAC4,5-dibromo-2-ethyl-1,3-thiazole
SMILESCCc1nc(Br)c(Br)s1
InChIInChI=1S/C5H5Br2NS/c1-2-3-8-4(6)5(7)9-3/h2H2,1H3
InChIKeyYOIHDCDCQXTCMV-UHFFFAOYSA-N
MW270.98 g/mol
LogP3.23
Rot. Bonds1

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

4,5-dibromo-2-ethyl-1,3-thiazole (PubChem CID 66521383) has the molecular formula C5H5Br2NS and a molecular weight of 270.98 g/mol. Its IUPAC name is 4,5-dibromo-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dibromo-2-ethyl-1,3-thiazole
PubChem CID66521383
Molecular FormulaC5H5Br2NS
Molecular Weight270.98 g/mol
Exact Mass268.85
IUPAC Name4,5-dibromo-2-ethyl-1,3-thiazole
SMILESCCc1nc(Br)c(Br)s1
InChIInChI=1S/C5H5Br2NS/c1-2-3-8-4(6)5(7)9-3/h2H2,1H3
InChIKeyYOIHDCDCQXTCMV-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.98
LogP ≤ 53.23
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-ethyl-1,3-thiazole?
The IUPAC name of 4,5-dibromo-2-ethyl-1,3-thiazole (CID 66521383) is 4,5-dibromo-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4,5-dibromo-2-ethyl-1,3-thiazole?
The canonical SMILES for 4,5-dibromo-2-ethyl-1,3-thiazole is CCc1nc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-2-ethyl-1,3-thiazole?
The InChIKey is YOIHDCDCQXTCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2NS/c1-2-3-8-4(6)5(7)9-3/h2H2,1H3.
What are the key properties of 4,5-dibromo-2-ethyl-1,3-thiazole?
4,5-dibromo-2-ethyl-1,3-thiazole has a molecular weight of 270.98 g/mol, XLogP of 3.23, 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-ethyl-1,3-thiazole is sourced from PubChem (CID 66521383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).