4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine

C19H18FN3OS — CID 23883777

IUPAC4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccc(F)cc2)n1N=C(C)c1ccco1
InChIInChI=1S/C19H18FN3OS/c1-13(2)11-21-19-23(22-14(3)18-5-4-10-24-18)17(12-25-19)15-6-8-16(20)9-7-15/h4-10,12H,1,11H2,2-3H3/b21-19-,22-14?
InChIKeyWARIDHZIIVGAOR-XFPNFMLJSA-N
MW355.44 g/mol
LogP4.70
Rot. Bonds5

About 4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine

4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine (PubChem CID 23883777) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
PubChem CID23883777
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccc(F)cc2)n1N=C(C)c1ccco1
InChIInChI=1S/C19H18FN3OS/c1-13(2)11-21-19-23(22-14(3)18-5-4-10-24-18)17(12-25-19)15-6-8-16(20)9-7-15/h4-10,12H,1,11H2,2-3H3/b21-19-,22-14?
InChIKeyWARIDHZIIVGAOR-XFPNFMLJSA-N
XLogP4.70
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine (CID 23883777) is 4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2ccc(F)cc2)n1N=C(C)c1ccco1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The InChIKey is WARIDHZIIVGAOR-XFPNFMLJSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-13(2)11-21-19-23(22-14(3)18-5-4-10-24-18)17(12-25-19)15-6-8-16(20)9-7-15/h4-10,12H,1,11H2,2-3H3/b21-19-,22-14?.
What are the key properties of 4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine has a molecular weight of 355.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23883777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).