(Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine

C10H6FN3O2S — CID 122714102

IUPAC(Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine
SMILESO=[N+]([O-])c1cnc(/N=C\c2ccc(F)cc2)s1
InChIInChI=1S/C10H6FN3O2S/c11-8-3-1-7(2-4-8)5-12-10-13-6-9(17-10)14(15)16/h1-6H/b12-5-
InChIKeyJMWGWIKPSRRGEN-XGICHPGQSA-N
MW251.24 g/mol
LogP2.94
Rot. Bonds3

About (Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine

(Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine (PubChem CID 122714102) has the molecular formula C10H6FN3O2S and a molecular weight of 251.24 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine
PubChem CID122714102
Molecular FormulaC10H6FN3O2S
Molecular Weight251.24 g/mol
Exact Mass251.02
IUPAC Name(Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine
SMILESO=[N+]([O-])c1cnc(/N=C\c2ccc(F)cc2)s1
InChIInChI=1S/C10H6FN3O2S/c11-8-3-1-7(2-4-8)5-12-10-13-6-9(17-10)14(15)16/h1-6H/b12-5-
InChIKeyJMWGWIKPSRRGEN-XGICHPGQSA-N
XLogP2.94
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine?
The IUPAC name of (Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine (CID 122714102) is (Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine is O=[N+]([O-])c1cnc(/N=C\c2ccc(F)cc2)s1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine?
The InChIKey is JMWGWIKPSRRGEN-XGICHPGQSA-N. The full InChI is InChI=1S/C10H6FN3O2S/c11-8-3-1-7(2-4-8)5-12-10-13-6-9(17-10)14(15)16/h1-6H/b12-5-.
What are the key properties of (Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine?
(Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine has a molecular weight of 251.24 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 122714102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).