ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate

C13H14N2O3S — CID 175672825

IUPACethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate
SMILESCCOC(=O)c1coc2c1-c1nnsc1C(C)(C)C2
InChIInChI=1S/C13H14N2O3S/c1-4-17-12(16)7-6-18-8-5-13(2,3)11-10(9(7)8)14-15-19-11/h6H,4-5H2,1-3H3
InChIKeyTZVSUHMUGZWYGX-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.81
Rot. Bonds2

About ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate

ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate (PubChem CID 175672825) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate.

Molecular Properties

Compound Nameethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate
PubChem CID175672825
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Nameethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate
SMILESCCOC(=O)c1coc2c1-c1nnsc1C(C)(C)C2
InChIInChI=1S/C13H14N2O3S/c1-4-17-12(16)7-6-18-8-5-13(2,3)11-10(9(7)8)14-15-19-11/h6H,4-5H2,1-3H3
InChIKeyTZVSUHMUGZWYGX-UHFFFAOYSA-N
XLogP2.81
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate with MolForge

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Related Compounds

ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate
CID 43839823
ethyl 5-cyano-5-methyl-4-oxo-6,7-dihydro-1-benzofuran-3-carboxylate
CID 118253114
ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate
CID 118252885
diethyl 2-ethoxyfuran-3,4-dicarboxylate
CID 12708714
ethane;ethyl 5,6-dihydro-1-benzofuran-3-carboxylate
CID 143659306
ethyl 4-acetyl-5-methylfuran-3-carboxylate
CID 135057105
ethyl 4-hydroxy-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
CID 102547754
ethyl 4-(chloromethyl)-5-(diethoxyphosphorylmethyl)furan-3-carboxylate
CID 132992974
ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate
CID 168852129
ethyl 4-methyl-1-benzofuran-3-carboxylate
CID 175669045
ethyl 5-(2-methylphenyl)-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]furan-3-carboxylate
CID 177232075
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612

Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate?
The IUPAC name of ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate (CID 175672825) is ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate.
What is the SMILES notation for ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate?
The canonical SMILES for ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate is CCOC(=O)c1coc2c1-c1nnsc1C(C)(C)C2.
What is the InChIKey of ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate?
The InChIKey is TZVSUHMUGZWYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-4-17-12(16)7-6-18-8-5-13(2,3)11-10(9(7)8)14-15-19-11/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate?
ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate is sourced from PubChem (CID 175672825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).