4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine

C26H22F3N3O3S — CID 2471332

IUPAC4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
SMILESCOc1cccc(C=Nn2c(-c3cc(OC)ccc3OC)cs/c2=N\c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C26H22F3N3O3S/c1-33-18-8-6-7-17(13-18)15-30-32-23(20-14-19(34-2)11-12-24(20)35-3)16-36-25(32)31-22-10-5-4-9-21(22)26(27,28)29/h4-16H,1-3H3/b30-15?,31-25-
InChIKeyFUHLGBIKZOHWLE-XWEYKERQSA-N
MW513.54 g/mol
LogP6.38
Rot. Bonds7

About 4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine

4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine (PubChem CID 2471332) has the molecular formula C26H22F3N3O3S and a molecular weight of 513.54 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
PubChem CID2471332
Molecular FormulaC26H22F3N3O3S
Molecular Weight513.54 g/mol
Exact Mass513.13
IUPAC Name4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
SMILESCOc1cccc(C=Nn2c(-c3cc(OC)ccc3OC)cs/c2=N\c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C26H22F3N3O3S/c1-33-18-8-6-7-17(13-18)15-30-32-23(20-14-19(34-2)11-12-24(20)35-3)16-36-25(32)31-22-10-5-4-9-21(22)26(27,28)29/h4-16H,1-3H3/b30-15?,31-25-
InChIKeyFUHLGBIKZOHWLE-XWEYKERQSA-N
XLogP6.38
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.54
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3-[(E)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6905360
4-[(E)-[4-(2,5-dimethoxyphenyl)-2-(2,3-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 6906089
4-[(E)-[4-(4-methoxyphenyl)-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135691158
(2Z,NE)-N-benzylidene-4-(3,4-dimethoxyphenyl)-2-(phenylimino)thiazol-3(2H)-amine
CID 6882342
(Z)-3-[(Z)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
CID 5599817
N-[4-(difluoromethoxy)phenyl]-4-(2,5-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazol-2-imine
CID 2485670
(E)-4-[4-(difluoromethoxy)phenyl]-N-(2,4-difluorophenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6906049
(E)-4-[4-(difluoromethoxy)phenyl]-N-(2,4-difluorophenyl)-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 16274012
2-[(2Z)-2-[(E)-(4-methoxyphenyl)methylenehydrazono]-3-phenyl-thiazol-4-yl]benzene-1,4-diol
CID 76327184
2-[(2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylenehydrazono]-3-(p-tolyl)thiazol-4-yl]benzene-1,4-diol
CID 76327187
2-[(2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazol-4-yl]benzene-1,4-diol
CID 76330844
4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide
CID 123685238

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine (CID 2471332) is 4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine is COc1cccc(C=Nn2c(-c3cc(OC)ccc3OC)cs/c2=N\c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
The InChIKey is FUHLGBIKZOHWLE-XWEYKERQSA-N. The full InChI is InChI=1S/C26H22F3N3O3S/c1-33-18-8-6-7-17(13-18)15-30-32-23(20-14-19(34-2)11-12-24(20)35-3)16-36-25(32)31-22-10-5-4-9-21(22)26(27,28)29/h4-16H,1-3H3/b30-15?,31-25-.
What are the key properties of 4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine has a molecular weight of 513.54 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine is sourced from PubChem (CID 2471332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).