4-bromo-3-ethyl-5-phenyl-1,2-thiazole

C11H10BrNS — CID 134938559

IUPAC4-bromo-3-ethyl-5-phenyl-1,2-thiazole
SMILESCCc1nsc(-c2ccccc2)c1Br
InChIInChI=1S/C11H10BrNS/c1-2-9-10(12)11(14-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeySAQAMZRRTXFLKF-UHFFFAOYSA-N
MW268.18 g/mol
LogP4.14
Rot. Bonds2

About 4-bromo-3-ethyl-5-phenyl-1,2-thiazole

4-bromo-3-ethyl-5-phenyl-1,2-thiazole (PubChem CID 134938559) has the molecular formula C11H10BrNS and a molecular weight of 268.18 g/mol. Its IUPAC name is 4-bromo-3-ethyl-5-phenyl-1,2-thiazole.

Molecular Properties

Compound Name4-bromo-3-ethyl-5-phenyl-1,2-thiazole
PubChem CID134938559
Molecular FormulaC11H10BrNS
Molecular Weight268.18 g/mol
Exact Mass266.97
IUPAC Name4-bromo-3-ethyl-5-phenyl-1,2-thiazole
SMILESCCc1nsc(-c2ccccc2)c1Br
InChIInChI=1S/C11H10BrNS/c1-2-9-10(12)11(14-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeySAQAMZRRTXFLKF-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethyl-5-phenyl-1,2-thiazole?
The IUPAC name of 4-bromo-3-ethyl-5-phenyl-1,2-thiazole (CID 134938559) is 4-bromo-3-ethyl-5-phenyl-1,2-thiazole.
What is the SMILES notation for 4-bromo-3-ethyl-5-phenyl-1,2-thiazole?
The canonical SMILES for 4-bromo-3-ethyl-5-phenyl-1,2-thiazole is CCc1nsc(-c2ccccc2)c1Br.
What is the InChIKey of 4-bromo-3-ethyl-5-phenyl-1,2-thiazole?
The InChIKey is SAQAMZRRTXFLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNS/c1-2-9-10(12)11(14-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 4-bromo-3-ethyl-5-phenyl-1,2-thiazole?
4-bromo-3-ethyl-5-phenyl-1,2-thiazole has a molecular weight of 268.18 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-ethyl-5-phenyl-1,2-thiazole is sourced from PubChem (CID 134938559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).