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

C7H7Br2NS — CID 66521426

IUPAC4,5-dibromo-2-cyclobutyl-1,3-thiazole
SMILESBrc1nc(C2CCC2)sc1Br
InChIInChI=1S/C7H7Br2NS/c8-5-6(9)11-7(10-5)4-2-1-3-4/h4H,1-3H2
InChIKeyRXXBFGXGNPQFEO-UHFFFAOYSA-N
MW297.02 g/mol
LogP3.94
Rot. Bonds1

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

4,5-dibromo-2-cyclobutyl-1,3-thiazole (PubChem CID 66521426) has the molecular formula C7H7Br2NS and a molecular weight of 297.02 g/mol. Its IUPAC name is 4,5-dibromo-2-cyclobutyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dibromo-2-cyclobutyl-1,3-thiazole
PubChem CID66521426
Molecular FormulaC7H7Br2NS
Molecular Weight297.02 g/mol
Exact Mass294.87
IUPAC Name4,5-dibromo-2-cyclobutyl-1,3-thiazole
SMILESBrc1nc(C2CCC2)sc1Br
InChIInChI=1S/C7H7Br2NS/c8-5-6(9)11-7(10-5)4-2-1-3-4/h4H,1-3H2
InChIKeyRXXBFGXGNPQFEO-UHFFFAOYSA-N
XLogP3.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.02
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-2-cyclobutylthiazole
CID 45788024
4,5-Dibromo-2-ethylthiazole
CID 66521383
4,5-Dibromo-2-(n-propyl)thiazole
CID 66521384
4,5-Dibromo-2-(iso-propyl)thiazole
CID 66521424
4,5-Dibromo-2-(cyclopropyl)thiazole
CID 66521425
4,5-Dibromo-2-(cyclopentyl)thiazole
CID 66521427
4,5-Dibromo-2-(cyclohexyl)thiazole
CID 66521428
4,5-Dibromo-2-(sec-butyl)thiazole
CID 130153409
4,5-Dibromo-2-(iso-butyl)thiazole
CID 130153410
4,5-Dibromo-2-(iso-butyl-d9)-thiazole
CID 133553288
4,5-Dibromo-2-(sec-butyl-d9)-thiazole
CID 133554011
4,5-Dibromo-2-(iso-propyl-d7)-thiazole
CID 133554034

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-cyclobutyl-1,3-thiazole?
The IUPAC name of 4,5-dibromo-2-cyclobutyl-1,3-thiazole (CID 66521426) is 4,5-dibromo-2-cyclobutyl-1,3-thiazole.
What is the SMILES notation for 4,5-dibromo-2-cyclobutyl-1,3-thiazole?
The canonical SMILES for 4,5-dibromo-2-cyclobutyl-1,3-thiazole is Brc1nc(C2CCC2)sc1Br.
What is the InChIKey of 4,5-dibromo-2-cyclobutyl-1,3-thiazole?
The InChIKey is RXXBFGXGNPQFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NS/c8-5-6(9)11-7(10-5)4-2-1-3-4/h4H,1-3H2.
What are the key properties of 4,5-dibromo-2-cyclobutyl-1,3-thiazole?
4,5-dibromo-2-cyclobutyl-1,3-thiazole has a molecular weight of 297.02 g/mol, XLogP of 3.94, 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-cyclobutyl-1,3-thiazole is sourced from PubChem (CID 66521426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).