2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole

C15H10N2O3S — CID 70526678

IUPAC2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2)cc1-c1nccs1
InChIInChI=1S/C15H10N2O3S/c18-17(19)14-7-6-12(20-11-4-2-1-3-5-11)10-13(14)15-16-8-9-21-15/h1-10H
InChIKeyBUCNBLSSPSVHQY-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.51
Rot. Bonds4

About 2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole

2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole (PubChem CID 70526678) has the molecular formula C15H10N2O3S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole
PubChem CID70526678
Molecular FormulaC15H10N2O3S
Molecular Weight298.32 g/mol
Exact Mass298.04
IUPAC Name2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2)cc1-c1nccs1
InChIInChI=1S/C15H10N2O3S/c18-17(19)14-7-6-12(20-11-4-2-1-3-5-11)10-13(14)15-16-8-9-21-15/h1-10H
InChIKeyBUCNBLSSPSVHQY-UHFFFAOYSA-N
XLogP4.51
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.51
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole (CID 70526678) is 2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole is O=[N+]([O-])c1ccc(Oc2ccccc2)cc1-c1nccs1.
What is the InChIKey of 2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole?
The InChIKey is BUCNBLSSPSVHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3S/c18-17(19)14-7-6-12(20-11-4-2-1-3-5-11)10-13(14)15-16-8-9-21-15/h1-10H.
What are the key properties of 2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole?
2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole has a molecular weight of 298.32 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 70526678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).