4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole

C7H9Br2NS — CID 130153410

IUPAC4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1nc(Br)c(Br)s1
InChIInChI=1S/C7H9Br2NS/c1-4(2)3-5-10-6(8)7(9)11-5/h4H,3H2,1-2H3
InChIKeyJGNQPNOWCWGCCN-UHFFFAOYSA-N
MW299.03 g/mol
LogP3.87
Rot. Bonds2

About 4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole

4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole (PubChem CID 130153410) has the molecular formula C7H9Br2NS and a molecular weight of 299.03 g/mol. Its IUPAC name is 4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole
PubChem CID130153410
Molecular FormulaC7H9Br2NS
Molecular Weight299.03 g/mol
Exact Mass296.88
IUPAC Name4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1nc(Br)c(Br)s1
InChIInChI=1S/C7H9Br2NS/c1-4(2)3-5-10-6(8)7(9)11-5/h4H,3H2,1-2H3
InChIKeyJGNQPNOWCWGCCN-UHFFFAOYSA-N
XLogP3.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.03
LogP ≤ 53.87
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-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole (CID 130153410) is 4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1nc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is JGNQPNOWCWGCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2NS/c1-4(2)3-5-10-6(8)7(9)11-5/h4H,3H2,1-2H3.
What are the key properties of 4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole?
4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole has a molecular weight of 299.03 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 130153410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).