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

C11H10BrNS — CID 68778379

IUPAC2-bromo-5-ethyl-4-phenyl-1,3-thiazole
SMILESCCc1sc(Br)nc1-c1ccccc1
InChIInChI=1S/C11H10BrNS/c1-2-9-10(13-11(12)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyXZHILVLFSIOHGM-UHFFFAOYSA-N
MW268.18 g/mol
LogP4.14
Rot. Bonds2

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

2-bromo-5-ethyl-4-phenyl-1,3-thiazole (PubChem CID 68778379) has the molecular formula C11H10BrNS and a molecular weight of 268.18 g/mol. Its IUPAC name is 2-bromo-5-ethyl-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-ethyl-4-phenyl-1,3-thiazole
PubChem CID68778379
Molecular FormulaC11H10BrNS
Molecular Weight268.18 g/mol
Exact Mass266.97
IUPAC Name2-bromo-5-ethyl-4-phenyl-1,3-thiazole
SMILESCCc1sc(Br)nc1-c1ccccc1
InChIInChI=1S/C11H10BrNS/c1-2-9-10(13-11(12)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyXZHILVLFSIOHGM-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 2-bromo-5-ethyl-4-phenyl-1,3-thiazole?
The IUPAC name of 2-bromo-5-ethyl-4-phenyl-1,3-thiazole (CID 68778379) is 2-bromo-5-ethyl-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-ethyl-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-bromo-5-ethyl-4-phenyl-1,3-thiazole is CCc1sc(Br)nc1-c1ccccc1.
What is the InChIKey of 2-bromo-5-ethyl-4-phenyl-1,3-thiazole?
The InChIKey is XZHILVLFSIOHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNS/c1-2-9-10(13-11(12)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 2-bromo-5-ethyl-4-phenyl-1,3-thiazole?
2-bromo-5-ethyl-4-phenyl-1,3-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 2-bromo-5-ethyl-4-phenyl-1,3-thiazole is sourced from PubChem (CID 68778379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).