diethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate

C16H15NO5S2 — CID 632564

IUPACdiethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate
SMILESCCOC(=O)c1sc2sc(C(=O)OCC)c(-c3ccco3)c2c1N
InChIInChI=1S/C16H15NO5S2/c1-3-20-14(18)12-9(8-6-5-7-22-8)10-11(17)13(15(19)21-4-2)24-16(10)23-12/h5-7H,3-4,17H2,1-2H3
InChIKeyCMIMFIIFDRNUFJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.16
Rot. Bonds5

About diethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate

diethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate (PubChem CID 632564) has the molecular formula C16H15NO5S2 and a molecular weight of 365.43 g/mol. Its IUPAC name is diethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate
PubChem CID632564
Molecular FormulaC16H15NO5S2
Molecular Weight365.43 g/mol
Exact Mass365.04
IUPAC Namediethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate
SMILESCCOC(=O)c1sc2sc(C(=O)OCC)c(-c3ccco3)c2c1N
InChIInChI=1S/C16H15NO5S2/c1-3-20-14(18)12-9(8-6-5-7-22-8)10-11(17)13(15(19)21-4-2)24-16(10)23-12/h5-7H,3-4,17H2,1-2H3
InChIKeyCMIMFIIFDRNUFJ-UHFFFAOYSA-N
XLogP4.16
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate?
The IUPAC name of diethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate (CID 632564) is diethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate.
What is the SMILES notation for diethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate?
The canonical SMILES for diethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate is CCOC(=O)c1sc2sc(C(=O)OCC)c(-c3ccco3)c2c1N.
What is the InChIKey of diethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate?
The InChIKey is CMIMFIIFDRNUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S2/c1-3-20-14(18)12-9(8-6-5-7-22-8)10-11(17)13(15(19)21-4-2)24-16(10)23-12/h5-7H,3-4,17H2,1-2H3.
What are the key properties of diethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate?
diethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate has a molecular weight of 365.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-amino-3-(furan-2-yl)thieno[2,3-b]thiophene-2,5-dicarboxylate is sourced from PubChem (CID 632564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).