4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine

C20H12F2N4O3S — CID 23790253

IUPAC4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESO=[N+]([O-])c1ccc(C=Nn2c(-c3ccccc3F)cs/c2=N\c2ccc(F)cc2)o1
InChIInChI=1S/C20H12F2N4O3S/c21-13-5-7-14(8-6-13)24-20-25(23-11-15-9-10-19(29-15)26(27)28)18(12-30-20)16-3-1-2-4-17(16)22/h1-12H/b23-11?,24-20-
InChIKeyOEOBJNZWZBTZMU-SIQQMNMFSA-N
MW426.40 g/mol
LogP5.11
Rot. Bonds5

About 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine

4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23790253) has the molecular formula C20H12F2N4O3S and a molecular weight of 426.40 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23790253
Molecular FormulaC20H12F2N4O3S
Molecular Weight426.40 g/mol
Exact Mass426.06
IUPAC Name4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESO=[N+]([O-])c1ccc(C=Nn2c(-c3ccccc3F)cs/c2=N\c2ccc(F)cc2)o1
InChIInChI=1S/C20H12F2N4O3S/c21-13-5-7-14(8-6-13)24-20-25(23-11-15-9-10-19(29-15)26(27)28)18(12-30-20)16-3-1-2-4-17(16)22/h1-12H/b23-11?,24-20-
InChIKeyOEOBJNZWZBTZMU-SIQQMNMFSA-N
XLogP5.11
TPSA85.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.40
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 23790253) is 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine is O=[N+]([O-])c1ccc(C=Nn2c(-c3ccccc3F)cs/c2=N\c2ccc(F)cc2)o1.
What is the InChIKey of 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is OEOBJNZWZBTZMU-SIQQMNMFSA-N. The full InChI is InChI=1S/C20H12F2N4O3S/c21-13-5-7-14(8-6-13)24-20-25(23-11-15-9-10-19(29-15)26(27)28)18(12-30-20)16-3-1-2-4-17(16)22/h1-12H/b23-11?,24-20-.
What are the key properties of 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 426.40 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23790253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).