2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole

C13H8N2O3S — CID 138754238

IUPAC2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)cs2)o1
InChIInChI=1S/C13H8N2O3S/c16-15(17)12-7-6-11(18-12)13-14-10(8-19-13)9-4-2-1-3-5-9/h1-8H
InChIKeyXGAGKJFJGCEUHE-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.98
Rot. Bonds3

About 2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole

2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole (PubChem CID 138754238) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole
PubChem CID138754238
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)cs2)o1
InChIInChI=1S/C13H8N2O3S/c16-15(17)12-7-6-11(18-12)13-14-10(8-19-13)9-4-2-1-3-5-9/h1-8H
InChIKeyXGAGKJFJGCEUHE-UHFFFAOYSA-N
XLogP3.98
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole
CID 23996777
1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 23967821
N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 4873203
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole
CID 169336469
(Z)-N-(azepan-1-yl)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]methanimine
CID 6444986
3-nitro-2-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 174458220
2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide
CID 56615074
2-(3-iodophenyl)-4-(4-nitrophenyl)-1,3-thiazole
CID 86025063
5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine
CID 12007693
2-[(5-nitrofuran-2-yl)methylsulfanyl]-1,3-benzothiazole
CID 826563

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole (CID 138754238) is 2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole is O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)cs2)o1.
What is the InChIKey of 2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole?
The InChIKey is XGAGKJFJGCEUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-15(17)12-7-6-11(18-12)13-14-10(8-19-13)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole?
2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole has a molecular weight of 272.29 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 138754238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).