1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine

C14H9N3O3S — CID 23967821

IUPAC1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
SMILESO=[N+]([O-])c1ccc(C=Nc2nc(-c3ccccc3)cs2)o1
InChIInChI=1S/C14H9N3O3S/c18-17(19)13-7-6-11(20-13)8-15-14-16-12(9-21-14)10-4-2-1-3-5-10/h1-9H
InChIKeyBNYNMNBTGHRFAW-UHFFFAOYSA-N
MW299.31 g/mol
LogP4.06
Rot. Bonds4

About 1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine

1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine (PubChem CID 23967821) has the molecular formula C14H9N3O3S and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
PubChem CID23967821
Molecular FormulaC14H9N3O3S
Molecular Weight299.31 g/mol
Exact Mass299.04
IUPAC Name1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
SMILESO=[N+]([O-])c1ccc(C=Nc2nc(-c3ccccc3)cs2)o1
InChIInChI=1S/C14H9N3O3S/c18-17(19)13-7-6-11(20-13)8-15-14-16-12(9-21-14)10-4-2-1-3-5-10/h1-9H
InChIKeyBNYNMNBTGHRFAW-UHFFFAOYSA-N
XLogP4.06
TPSA81.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine?
The IUPAC name of 1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine (CID 23967821) is 1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for 1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine?
The canonical SMILES for 1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine is O=[N+]([O-])c1ccc(C=Nc2nc(-c3ccccc3)cs2)o1.
What is the InChIKey of 1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine?
The InChIKey is BNYNMNBTGHRFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3S/c18-17(19)13-7-6-11(20-13)8-15-14-16-12(9-21-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine?
1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine has a molecular weight of 299.31 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 23967821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).