5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole

C8H10BrNS — CID 154982286

IUPAC5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole
SMILESCC1CC(c2ncc(Br)s2)C1
InChIInChI=1S/C8H10BrNS/c1-5-2-6(3-5)8-10-4-7(9)11-8/h4-6H,2-3H2,1H3
InChIKeyYPFYCZPSKOCTMU-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.42
Rot. Bonds1

About 5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole

5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole (PubChem CID 154982286) has the molecular formula C8H10BrNS and a molecular weight of 232.15 g/mol. Its IUPAC name is 5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole
PubChem CID154982286
Molecular FormulaC8H10BrNS
Molecular Weight232.15 g/mol
Exact Mass230.97
IUPAC Name5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole
SMILESCC1CC(c2ncc(Br)s2)C1
InChIInChI=1S/C8H10BrNS/c1-5-2-6(3-5)8-10-4-7(9)11-8/h4-6H,2-3H2,1H3
InChIKeyYPFYCZPSKOCTMU-UHFFFAOYSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole (CID 154982286) is 5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole is CC1CC(c2ncc(Br)s2)C1.
What is the InChIKey of 5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole?
The InChIKey is YPFYCZPSKOCTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS/c1-5-2-6(3-5)8-10-4-7(9)11-8/h4-6H,2-3H2,1H3.
What are the key properties of 5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole?
5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole has a molecular weight of 232.15 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylcyclobutyl)-1,3-thiazole is sourced from PubChem (CID 154982286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).