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

C10H9NO2S2 — CID 831570

IUPACmethyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2cccs2)csc1N
InChIInChI=1S/C10H9NO2S2/c1-13-10(12)8-6(5-15-9(8)11)7-3-2-4-14-7/h2-5H,11H2,1H3
InChIKeyYTPWWVXUJXQDMK-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.85
Rot. Bonds2

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

methyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate (PubChem CID 831570) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
PubChem CID831570
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Namemethyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2cccs2)csc1N
InChIInChI=1S/C10H9NO2S2/c1-13-10(12)8-6(5-15-9(8)11)7-3-2-4-14-7/h2-5H,11H2,1H3
InChIKeyYTPWWVXUJXQDMK-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 2-amino-4-thiophen-2-ylthiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate (CID 831570) is methyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate is COC(=O)c1c(-c2cccs2)csc1N.
What is the InChIKey of methyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate?
The InChIKey is YTPWWVXUJXQDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S2/c1-13-10(12)8-6(5-15-9(8)11)7-3-2-4-14-7/h2-5H,11H2,1H3.
What are the key properties of methyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate?
methyl 2-amino-4-thiophen-2-ylthiophene-3-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 2-amino-4-thiophen-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 831570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).