ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate

C11H11NO2S2 — CID 645868

IUPACethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccsc2)csc1N
InChIInChI=1S/C11H11NO2S2/c1-2-14-11(13)9-8(6-16-10(9)12)7-3-4-15-5-7/h3-6H,2,12H2,1H3
InChIKeyTWYUHKOUAMWNON-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.24
Rot. Bonds3

About ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate

ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate (PubChem CID 645868) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate
PubChem CID645868
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Nameethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccsc2)csc1N
InChIInChI=1S/C11H11NO2S2/c1-2-14-11(13)9-8(6-16-10(9)12)7-3-4-15-5-7/h3-6H,2,12H2,1H3
InChIKeyTWYUHKOUAMWNON-UHFFFAOYSA-N
XLogP3.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate (CID 645868) is ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate is CCOC(=O)c1c(-c2ccsc2)csc1N.
What is the InChIKey of ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate?
The InChIKey is TWYUHKOUAMWNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-2-14-11(13)9-8(6-16-10(9)12)7-3-4-15-5-7/h3-6H,2,12H2,1H3.
What are the key properties of ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate?
ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate has a molecular weight of 253.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate is sourced from PubChem (CID 645868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).