4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole

C13H12BrNS — CID 116506859

IUPAC4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole
SMILESBrc1csc(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C13H12BrNS/c14-12-8-16-13(15-12)11-6-4-10(5-7-11)9-2-1-3-9/h4-9H,1-3H2
InChIKeyBXPIAYMEUHBSFL-UHFFFAOYSA-N
MW294.22 g/mol
LogP4.84
Rot. Bonds2

About 4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole

4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole (PubChem CID 116506859) has the molecular formula C13H12BrNS and a molecular weight of 294.22 g/mol. Its IUPAC name is 4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole
PubChem CID116506859
Molecular FormulaC13H12BrNS
Molecular Weight294.22 g/mol
Exact Mass292.99
IUPAC Name4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole
SMILESBrc1csc(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C13H12BrNS/c14-12-8-16-13(15-12)11-6-4-10(5-7-11)9-2-1-3-9/h4-9H,1-3H2
InChIKeyBXPIAYMEUHBSFL-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole (CID 116506859) is 4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole is Brc1csc(-c2ccc(C3CCC3)cc2)n1.
What is the InChIKey of 4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole?
The InChIKey is BXPIAYMEUHBSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNS/c14-12-8-16-13(15-12)11-6-4-10(5-7-11)9-2-1-3-9/h4-9H,1-3H2.
What are the key properties of 4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole?
4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole has a molecular weight of 294.22 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole is sourced from PubChem (CID 116506859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).