(E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine

C21H22N2O2S — CID 118975002

IUPAC(E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine
SMILESC/C(=N\OCc1ccc(C)cc1)c1ccc(OCc2csc(C)n2)cc1
InChIInChI=1S/C21H22N2O2S/c1-15-4-6-18(7-5-15)12-25-23-16(2)19-8-10-21(11-9-19)24-13-20-14-26-17(3)22-20/h4-11,14H,12-13H2,1-3H3/b23-16+
InChIKeyBGPVLYIDJIEIHR-XQNSMLJCSA-N
MW366.49 g/mol
LogP5.28
Rot. Bonds7

About (E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine

(E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine (PubChem CID 118975002) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is (E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine
PubChem CID118975002
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name(E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine
SMILESC/C(=N\OCc1ccc(C)cc1)c1ccc(OCc2csc(C)n2)cc1
InChIInChI=1S/C21H22N2O2S/c1-15-4-6-18(7-5-15)12-25-23-16(2)19-8-10-21(11-9-19)24-13-20-14-26-17(3)22-20/h4-11,14H,12-13H2,1-3H3/b23-16+
InChIKeyBGPVLYIDJIEIHR-XQNSMLJCSA-N
XLogP5.28
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
CID 77103772
[[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate
CID 2818572
(E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine
CID 118974990
ethane;4-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]benzonitrile
CID 145492702
1-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 29202246
2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 111112628
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783
(1S)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 55189009
2-[4-[C-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methoxy]carbonimidoyl]phenoxy]-1-phenylethanone
CID 123585211

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine?
The IUPAC name of (E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine (CID 118975002) is (E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine.
What is the SMILES notation for (E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine?
The canonical SMILES for (E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine is C/C(=N\OCc1ccc(C)cc1)c1ccc(OCc2csc(C)n2)cc1.
What is the InChIKey of (E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine?
The InChIKey is BGPVLYIDJIEIHR-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15-4-6-18(7-5-15)12-25-23-16(2)19-8-10-21(11-9-19)24-13-20-14-26-17(3)22-20/h4-11,14H,12-13H2,1-3H3/b23-16+.
What are the key properties of (E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine?
(E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine has a molecular weight of 366.49 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine is sourced from PubChem (CID 118975002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).