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

C15H14N4O3S — CID 168628025

IUPACethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C=NNc3nc(N)cs3)ccc2o1
InChIInChI=1S/C15H14N4O3S/c1-2-21-14(20)12-6-10-5-9(3-4-11(10)22-12)7-17-19-15-18-13(16)8-23-15/h3-8H,2,16H2,1H3,(H,18,19)
InChIKeyAZSLKXYIKWSSND-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.09
Rot. Bonds5

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

ethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate (PubChem CID 168628025) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is ethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate
PubChem CID168628025
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Nameethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C=NNc3nc(N)cs3)ccc2o1
InChIInChI=1S/C15H14N4O3S/c1-2-21-14(20)12-6-10-5-9(3-4-11(10)22-12)7-17-19-15-18-13(16)8-23-15/h3-8H,2,16H2,1H3,(H,18,19)
InChIKeyAZSLKXYIKWSSND-UHFFFAOYSA-N
XLogP3.09
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
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'}

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Related Compounds

ethyl 2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 168626970
[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2-methylpropanoate
CID 168625600
ethyl 1-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-cyanophenyl]piperidine-4-carboxylate
CID 168628201
methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
CID 168626507
methyl 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methylbenzoate
CID 168627986
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168625512
2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-chlorophenoxy]acetamide
CID 168627035
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide
CID 168626559
2-N-[[3-ethoxy-4-(2-methylprop-2-enoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627055
ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate
CID 168628165
ethyl 3-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromophenoxy]propanoate
CID 168627432
5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168625822

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate (CID 168628025) is ethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2cc(C=NNc3nc(N)cs3)ccc2o1.
What is the InChIKey of ethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate?
The InChIKey is AZSLKXYIKWSSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-2-21-14(20)12-6-10-5-9(3-4-11(10)22-12)7-17-19-15-18-13(16)8-23-15/h3-8H,2,16H2,1H3,(H,18,19).
What are the key properties of ethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate?
ethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate has a molecular weight of 330.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 168628025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).