methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate

C23H25N3O4S — CID 110530398

IUPACmethyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCCc1nc(N/N=C\c2ccc(OC)c(OCc3ccc(C)cc3)c2)sc1C(=O)OC
InChIInChI=1S/C23H25N3O4S/c1-5-18-21(22(27)29-4)31-23(25-18)26-24-13-17-10-11-19(28-3)20(12-17)30-14-16-8-6-15(2)7-9-16/h6-13H,5,14H2,1-4H3,(H,25,26)/b24-13-
InChIKeyCPCCNRQYBWATCJ-CFRMEGHHSA-N
MW439.54 g/mol
LogP4.83
Rot. Bonds9

About methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate

methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate (PubChem CID 110530398) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
PubChem CID110530398
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Namemethyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCCc1nc(N/N=C\c2ccc(OC)c(OCc3ccc(C)cc3)c2)sc1C(=O)OC
InChIInChI=1S/C23H25N3O4S/c1-5-18-21(22(27)29-4)31-23(25-18)26-24-13-17-10-11-19(28-3)20(12-17)30-14-16-8-6-15(2)7-9-16/h6-13H,5,14H2,1-4H3,(H,25,26)/b24-13-
InChIKeyCPCCNRQYBWATCJ-CFRMEGHHSA-N
XLogP4.83
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

methyl 4-ethyl-2-[(2Z)-2-[(4-methoxy-3-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 110533959
ethyl 2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 40548236
methyl 4-ethyl-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 110538274
methyl 2-[(2Z)-2-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-ethyl-1,3-thiazole-5-carboxylate
CID 110530981
4-[(Z)-[(4-ethyl-5-methoxycarbonyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 110536941
methyl 2-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1,3-thiazole-5-carboxylate
CID 110532559
methyl 4-ethyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
CID 110539054
N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxyaniline
CID 110508914
[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 5426310
4-fluoro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110506224
3-[(2E)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110505152
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate (CID 110530398) is methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate is CCc1nc(N/N=C\c2ccc(OC)c(OCc3ccc(C)cc3)c2)sc1C(=O)OC.
What is the InChIKey of methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
The InChIKey is CPCCNRQYBWATCJ-CFRMEGHHSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-5-18-21(22(27)29-4)31-23(25-18)26-24-13-17-10-11-19(28-3)20(12-17)30-14-16-8-6-15(2)7-9-16/h6-13H,5,14H2,1-4H3,(H,25,26)/b24-13-.
What are the key properties of methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate has a molecular weight of 439.54 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-2-[(2Z)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 110530398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).