methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate

C25H23N3O6S — CID 168623538

IUPACmethyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate
SMILESCCOC(=O)Cc1csc(NN=Cc2c(OCc3ccc(C(=O)OC)o3)ccc3ccccc23)n1
InChIInChI=1S/C25H23N3O6S/c1-3-32-23(29)12-17-15-35-25(27-17)28-26-13-20-19-7-5-4-6-16(19)8-10-21(20)33-14-18-9-11-22(34-18)24(30)31-2/h4-11,13,15H,3,12,14H2,1-2H3,(H,27,28)
InChIKeyZPVOOEHFRKTHLD-UHFFFAOYSA-N
MW493.54 g/mol
LogP4.81
Rot. Bonds10

About methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate

methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate (PubChem CID 168623538) has the molecular formula C25H23N3O6S and a molecular weight of 493.54 g/mol. Its IUPAC name is methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate
PubChem CID168623538
Molecular FormulaC25H23N3O6S
Molecular Weight493.54 g/mol
Exact Mass493.13
IUPAC Namemethyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate
SMILESCCOC(=O)Cc1csc(NN=Cc2c(OCc3ccc(C(=O)OC)o3)ccc3ccccc23)n1
InChIInChI=1S/C25H23N3O6S/c1-3-32-23(29)12-17-15-35-25(27-17)28-26-13-20-19-7-5-4-6-16(19)8-10-21(20)33-14-18-9-11-22(34-18)24(30)31-2/h4-11,13,15H,3,12,14H2,1-2H3,(H,27,28)
InChIKeyZPVOOEHFRKTHLD-UHFFFAOYSA-N
XLogP4.81
TPSA112.25 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate with MolForge

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Related Compounds

ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624747
ethyl 2-[2-[2-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623931
ethyl 2-[2-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623887
ethyl 2-[2-[2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623945
methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
CID 168626507
methyl 3-bromo-2-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoate
CID 168625418
ethyl 2-[2-[2-[(2,4,6-triethylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624530
ethyl 2-[2-[2-[(2,3,4,5,6-pentamethylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623365
ethyl 2-[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5348591
ethyl 2-[2-[2-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622889
ethyl 2-[2-[2-[[2,5-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622959
ethyl 2-[2-[2-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624897

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate (CID 168623538) is methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate is CCOC(=O)Cc1csc(NN=Cc2c(OCc3ccc(C(=O)OC)o3)ccc3ccccc23)n1.
What is the InChIKey of methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate?
The InChIKey is ZPVOOEHFRKTHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O6S/c1-3-32-23(29)12-17-15-35-25(27-17)28-26-13-20-19-7-5-4-6-16(19)8-10-21(20)33-14-18-9-11-22(34-18)24(30)31-2/h4-11,13,15H,3,12,14H2,1-2H3,(H,27,28).
What are the key properties of methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate?
methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate has a molecular weight of 493.54 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 168623538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).