methyl 2-amino-5-ethylthiophene-3-carboxylate

C8H11NO2S — CID 737094

IUPACmethyl 2-amino-5-ethylthiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(N)s1
InChIInChI=1S/C8H11NO2S/c1-3-5-4-6(7(9)12-5)8(10)11-2/h4H,3,9H2,1-2H3
InChIKeyYFGOHKLTZXZUPH-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.68
Rot. Bonds2

About methyl 2-amino-5-ethylthiophene-3-carboxylate

methyl 2-amino-5-ethylthiophene-3-carboxylate (PubChem CID 737094) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is methyl 2-amino-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-ethylthiophene-3-carboxylate
PubChem CID737094
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Namemethyl 2-amino-5-ethylthiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(N)s1
InChIInChI=1S/C8H11NO2S/c1-3-5-4-6(7(9)12-5)8(10)11-2/h4H,3,9H2,1-2H3
InChIKeyYFGOHKLTZXZUPH-UHFFFAOYSA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-ethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-5-ethylthiophene-3-carboxylate (CID 737094) is methyl 2-amino-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-ethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-ethylthiophene-3-carboxylate is CCc1cc(C(=O)OC)c(N)s1.
What is the InChIKey of methyl 2-amino-5-ethylthiophene-3-carboxylate?
The InChIKey is YFGOHKLTZXZUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-5-4-6(7(9)12-5)8(10)11-2/h4H,3,9H2,1-2H3.
What are the key properties of methyl 2-amino-5-ethylthiophene-3-carboxylate?
methyl 2-amino-5-ethylthiophene-3-carboxylate has a molecular weight of 185.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 737094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).