2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole

C15H9BrN2O2S — CID 169336469

IUPAC2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Br)c(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C15H9BrN2O2S/c16-13-7-6-11(18(19)20)8-12(13)15-17-14(9-21-15)10-4-2-1-3-5-10/h1-9H
InChIKeyWUYCIWWIOOLYMS-UHFFFAOYSA-N
MW361.22 g/mol
LogP5.15
Rot. Bonds3

About 2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole

2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole (PubChem CID 169336469) has the molecular formula C15H9BrN2O2S and a molecular weight of 361.22 g/mol. Its IUPAC name is 2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole
PubChem CID169336469
Molecular FormulaC15H9BrN2O2S
Molecular Weight361.22 g/mol
Exact Mass359.96
IUPAC Name2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Br)c(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C15H9BrN2O2S/c16-13-7-6-11(18(19)20)8-12(13)15-17-14(9-21-15)10-4-2-1-3-5-10/h1-9H
InChIKeyWUYCIWWIOOLYMS-UHFFFAOYSA-N
XLogP5.15
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.22
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
2-(3-iodophenyl)-4-(4-nitrophenyl)-1,3-thiazole
CID 86025063
4-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650164
2-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 9421686
2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8964938
(E)-3-(2-bromo-4-nitroanilino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 2856378
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 58874615
2-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 2922172
2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole
CID 138754238

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole (CID 169336469) is 2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole is O=[N+]([O-])c1ccc(Br)c(-c2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole?
The InChIKey is WUYCIWWIOOLYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O2S/c16-13-7-6-11(18(19)20)8-12(13)15-17-14(9-21-15)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole?
2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole has a molecular weight of 361.22 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 169336469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).