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

C7H10BrNS — CID 42281873

IUPAC2-bromo-4-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1csc(Br)n1
InChIInChI=1S/C7H10BrNS/c1-7(2,3)5-4-10-6(8)9-5/h4H,1-3H3
InChIKeyILKZEOZQPGBUCV-UHFFFAOYSA-N
MW220.13 g/mol
LogP3.20
Rot. Bonds

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

2-bromo-4-tert-butyl-1,3-thiazole (PubChem CID 42281873) has the molecular formula C7H10BrNS and a molecular weight of 220.13 g/mol. Its IUPAC name is 2-bromo-4-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-tert-butyl-1,3-thiazole
PubChem CID42281873
Molecular FormulaC7H10BrNS
Molecular Weight220.13 g/mol
Exact Mass218.97
IUPAC Name2-bromo-4-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1csc(Br)n1
InChIInChI=1S/C7H10BrNS/c1-7(2,3)5-4-10-6(8)9-5/h4H,1-3H3
InChIKeyILKZEOZQPGBUCV-UHFFFAOYSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butyl-1,3-thiazole?
The IUPAC name of 2-bromo-4-tert-butyl-1,3-thiazole (CID 42281873) is 2-bromo-4-tert-butyl-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-tert-butyl-1,3-thiazole?
The canonical SMILES for 2-bromo-4-tert-butyl-1,3-thiazole is CC(C)(C)c1csc(Br)n1.
What is the InChIKey of 2-bromo-4-tert-butyl-1,3-thiazole?
The InChIKey is ILKZEOZQPGBUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-7(2,3)5-4-10-6(8)9-5/h4H,1-3H3.
What are the key properties of 2-bromo-4-tert-butyl-1,3-thiazole?
2-bromo-4-tert-butyl-1,3-thiazole has a molecular weight of 220.13 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butyl-1,3-thiazole is sourced from PubChem (CID 42281873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).