N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine

C20H20FN3S — CID 23991458

IUPACN-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(C)cc2)n1N=C(C)c1cccc(F)c1
InChIInChI=1S/C20H20FN3S/c1-4-22-20-24(23-15(3)17-6-5-7-18(21)12-17)19(13-25-20)16-10-8-14(2)9-11-16/h5-13H,4H2,1-3H3/b22-20-,23-15?
InChIKeyLGPHRNWSYYTRMJ-CODSTPGJSA-N
MW353.47 g/mol
LogP4.86
Rot. Bonds4

About N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine

N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 23991458) has the molecular formula C20H20FN3S and a molecular weight of 353.47 g/mol. Its IUPAC name is N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID23991458
Molecular FormulaC20H20FN3S
Molecular Weight353.47 g/mol
Exact Mass353.14
IUPAC NameN-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(C)cc2)n1N=C(C)c1cccc(F)c1
InChIInChI=1S/C20H20FN3S/c1-4-22-20-24(23-15(3)17-6-5-7-18(21)12-17)19(13-25-20)16-10-8-14(2)9-11-16/h5-13H,4H2,1-3H3/b22-20-,23-15?
InChIKeyLGPHRNWSYYTRMJ-CODSTPGJSA-N
XLogP4.86
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine (CID 23991458) is N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccc(C)cc2)n1N=C(C)c1cccc(F)c1.
What is the InChIKey of N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is LGPHRNWSYYTRMJ-CODSTPGJSA-N. The full InChI is InChI=1S/C20H20FN3S/c1-4-22-20-24(23-15(3)17-6-5-7-18(21)12-17)19(13-25-20)16-10-8-14(2)9-11-16/h5-13H,4H2,1-3H3/b22-20-,23-15?.
What are the key properties of N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine?
N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 353.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23991458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).