methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate

C18H18N4O5S — CID 168626507

IUPACmethyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(C=NNc3nc(N)cs3)cc2OC)o1
InChIInChI=1S/C18H18N4O5S/c1-24-15-7-11(8-20-22-18-21-16(19)10-28-18)3-5-13(15)26-9-12-4-6-14(27-12)17(23)25-2/h3-8,10H,9,19H2,1-2H3,(H,21,22)
InChIKeyHUWJRNPCRVMXFH-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.14
Rot. Bonds8

About methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate

methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate (PubChem CID 168626507) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
PubChem CID168626507
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC Namemethyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(C=NNc3nc(N)cs3)cc2OC)o1
InChIInChI=1S/C18H18N4O5S/c1-24-15-7-11(8-20-22-18-21-16(19)10-28-18)3-5-13(15)26-9-12-4-6-14(27-12)17(23)25-2/h3-8,10H,9,19H2,1-2H3,(H,21,22)
InChIKeyHUWJRNPCRVMXFH-UHFFFAOYSA-N
XLogP3.14
TPSA121.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
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-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate with MolForge

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Related Compounds

ethyl 2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 168626970
methyl 5-[[2,6-dimethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate
CID 168576697
[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 168627267
2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 168626539
methyl 2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]pyridine-4-carboxylate
CID 168627359
methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate
CID 9015156
methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate
CID 168623538
4-[[4-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 168623645
methyl 5-[[4-[[(2-hydroxy-3-methylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
CID 4680787
2-N-[(4-iodo-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628362
methyl 5-[(2-ethoxy-4-methanehydrazonoylphenoxy)methyl]furan-2-carboxylate
CID 78678985
ethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate
CID 168628025

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate (CID 168626507) is methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2ccc(C=NNc3nc(N)cs3)cc2OC)o1.
What is the InChIKey of methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate?
The InChIKey is HUWJRNPCRVMXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S/c1-24-15-7-11(8-20-22-18-21-16(19)10-28-18)3-5-13(15)26-9-12-4-6-14(27-12)17(23)25-2/h3-8,10H,9,19H2,1-2H3,(H,21,22).
What are the key properties of methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate?
methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate has a molecular weight of 402.43 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate is sourced from PubChem (CID 168626507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).