5-bromo-4-tert-butyl-2-methyl-1,3-thiazole

C8H12BrNS — CID 59263670

IUPAC5-bromo-4-tert-butyl-2-methyl-1,3-thiazole
SMILESCc1nc(C(C)(C)C)c(Br)s1
InChIInChI=1S/C8H12BrNS/c1-5-10-6(7(9)11-5)8(2,3)4/h1-4H3
InChIKeyUWAJOOTWIPPKED-UHFFFAOYSA-N
MW234.16 g/mol
LogP3.51
Rot. Bonds

About 5-bromo-4-tert-butyl-2-methyl-1,3-thiazole

5-bromo-4-tert-butyl-2-methyl-1,3-thiazole (PubChem CID 59263670) has the molecular formula C8H12BrNS and a molecular weight of 234.16 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-2-methyl-1,3-thiazole
PubChem CID59263670
Molecular FormulaC8H12BrNS
Molecular Weight234.16 g/mol
Exact Mass232.99
IUPAC Name5-bromo-4-tert-butyl-2-methyl-1,3-thiazole
SMILESCc1nc(C(C)(C)C)c(Br)s1
InChIInChI=1S/C8H12BrNS/c1-5-10-6(7(9)11-5)8(2,3)4/h1-4H3
InChIKeyUWAJOOTWIPPKED-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-2-methyl-1,3-thiazole?
The IUPAC name of 5-bromo-4-tert-butyl-2-methyl-1,3-thiazole (CID 59263670) is 5-bromo-4-tert-butyl-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-4-tert-butyl-2-methyl-1,3-thiazole?
The canonical SMILES for 5-bromo-4-tert-butyl-2-methyl-1,3-thiazole is Cc1nc(C(C)(C)C)c(Br)s1.
What is the InChIKey of 5-bromo-4-tert-butyl-2-methyl-1,3-thiazole?
The InChIKey is UWAJOOTWIPPKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNS/c1-5-10-6(7(9)11-5)8(2,3)4/h1-4H3.
What are the key properties of 5-bromo-4-tert-butyl-2-methyl-1,3-thiazole?
5-bromo-4-tert-butyl-2-methyl-1,3-thiazole has a molecular weight of 234.16 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-tert-butyl-2-methyl-1,3-thiazole is sourced from PubChem (CID 59263670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).