methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate

C10H9NO2S2 — CID 2736807

IUPACmethyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cccs2)cc1N
InChIInChI=1S/C10H9NO2S2/c1-13-10(12)9-6(11)5-8(15-9)7-3-2-4-14-7/h2-5H,11H2,1H3
InChIKeyCFHYAXQWEYGRTM-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.85
Rot. Bonds2

About methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate

methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate (PubChem CID 2736807) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate
PubChem CID2736807
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Namemethyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cccs2)cc1N
InChIInChI=1S/C10H9NO2S2/c1-13-10(12)9-6(11)5-8(15-9)7-3-2-4-14-7/h2-5H,11H2,1H3
InChIKeyCFHYAXQWEYGRTM-UHFFFAOYSA-N
XLogP2.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate (CID 2736807) is methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate is COC(=O)c1sc(-c2cccs2)cc1N.
What is the InChIKey of methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate?
The InChIKey is CFHYAXQWEYGRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S2/c1-13-10(12)9-6(11)5-8(15-9)7-3-2-4-14-7/h2-5H,11H2,1H3.
What are the key properties of methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate?
methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate has a molecular weight of 239.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 2736807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).