N-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine

C25H22FN3S — CID 4519255

IUPACN-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCC(=NN=c1scc(-c2ccccc2)n1CCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H22FN3S/c1-19(21-12-14-23(26)15-13-21)27-28-25-29(17-16-20-8-4-2-5-9-20)24(18-30-25)22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3
InChIKeyMEHHQFMTQKIONT-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.92
Rot. Bonds6

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

N-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine (PubChem CID 4519255) has the molecular formula C25H22FN3S and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
PubChem CID4519255
Molecular FormulaC25H22FN3S
Molecular Weight415.54 g/mol
Exact Mass415.15
IUPAC NameN-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCC(=NN=c1scc(-c2ccccc2)n1CCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H22FN3S/c1-19(21-12-14-23(26)15-13-21)27-28-25-29(17-16-20-8-4-2-5-9-20)24(18-30-25)22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3
InChIKeyMEHHQFMTQKIONT-UHFFFAOYSA-N
XLogP5.92
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4H-Thiazolo(2,3-c)-as-triazine, 3,4-diphenyl-6-methyl-
CID 3043860
4H-Thiazolo(2,3-c)-as-triazine, 3,4-diphenyl-6-methyl-, hydrochloride
CID 3043866
(E)-3-benzyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 6163400
(E)-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 90675473
4-(4-Methylphenyl)-2-(2-phenyl-1-azaethylidene)-3-benzyl-1,3-thiazoline
CID 2131707
(E)-3-[(E)-(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine
CID 6903482
(Z)-3-benzyl-2-((E)-(1-(4-fluorophenyl)ethylidene)hydrazono)-4-phenyl-2,3-dihydrothiazole
CID 9679106
3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine
CID 5224474
2-(3-Methyl-1,2-diazabut-2-enylidene)-4-phenyl-3-benzyl-1,3-thiazoline
CID 5533457
N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 1498067
(8R,13E)-13-benzylidene-6-(4-fluorophenyl)-11-methyl-8-phenyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 1853452
N-[(2Z)-4-(4-fluorophenyl)-3-(2-phenylethyl)-1,3-thiazol-2(3H)-ylidene]aniline
CID 1903370

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine (CID 4519255) is N-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine is CC(=NN=c1scc(-c2ccccc2)n1CCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The InChIKey is MEHHQFMTQKIONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3S/c1-19(21-12-14-23(26)15-13-21)27-28-25-29(17-16-20-8-4-2-5-9-20)24(18-30-25)22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
N-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine has a molecular weight of 415.54 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethylideneamino]-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 4519255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).