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

C6H7Br2NS — CID 66521424

IUPAC4,5-dibromo-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(Br)c(Br)s1
InChIInChI=1S/C6H7Br2NS/c1-3(2)6-9-4(7)5(8)10-6/h3H,1-2H3
InChIKeyARDLCJKOSWVEJU-UHFFFAOYSA-N
MW285.00 g/mol
LogP3.79
Rot. Bonds1

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

4,5-dibromo-2-propan-2-yl-1,3-thiazole (PubChem CID 66521424) has the molecular formula C6H7Br2NS and a molecular weight of 285.00 g/mol. Its IUPAC name is 4,5-dibromo-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dibromo-2-propan-2-yl-1,3-thiazole
PubChem CID66521424
Molecular FormulaC6H7Br2NS
Molecular Weight285.00 g/mol
Exact Mass282.87
IUPAC Name4,5-dibromo-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(Br)c(Br)s1
InChIInChI=1S/C6H7Br2NS/c1-3(2)6-9-4(7)5(8)10-6/h3H,1-2H3
InChIKeyARDLCJKOSWVEJU-UHFFFAOYSA-N
XLogP3.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.00
LogP ≤ 53.79
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-propan-2-yl-1,3-thiazole?
The IUPAC name of 4,5-dibromo-2-propan-2-yl-1,3-thiazole (CID 66521424) is 4,5-dibromo-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4,5-dibromo-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4,5-dibromo-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-2-propan-2-yl-1,3-thiazole?
The InChIKey is ARDLCJKOSWVEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2NS/c1-3(2)6-9-4(7)5(8)10-6/h3H,1-2H3.
What are the key properties of 4,5-dibromo-2-propan-2-yl-1,3-thiazole?
4,5-dibromo-2-propan-2-yl-1,3-thiazole has a molecular weight of 285.00 g/mol, XLogP of 3.79, 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-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 66521424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).