methyl 4-amino-2-methylthiophene-3-carboxylate

C7H9NO2S — CID 12710776

IUPACmethyl 4-amino-2-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(N)csc1C
InChIInChI=1S/C7H9NO2S/c1-4-6(7(9)10-2)5(8)3-11-4/h3H,8H2,1-2H3
InChIKeyWGXXITACOCKKFJ-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.43
Rot. Bonds1

About methyl 4-amino-2-methylthiophene-3-carboxylate

methyl 4-amino-2-methylthiophene-3-carboxylate (PubChem CID 12710776) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is methyl 4-amino-2-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-methylthiophene-3-carboxylate
PubChem CID12710776
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Namemethyl 4-amino-2-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(N)csc1C
InChIInChI=1S/C7H9NO2S/c1-4-6(7(9)10-2)5(8)3-11-4/h3H,8H2,1-2H3
InChIKeyWGXXITACOCKKFJ-UHFFFAOYSA-N
XLogP1.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-methylthiophene-3-carboxylate?
The IUPAC name of methyl 4-amino-2-methylthiophene-3-carboxylate (CID 12710776) is methyl 4-amino-2-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 4-amino-2-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 4-amino-2-methylthiophene-3-carboxylate is COC(=O)c1c(N)csc1C.
What is the InChIKey of methyl 4-amino-2-methylthiophene-3-carboxylate?
The InChIKey is WGXXITACOCKKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-4-6(7(9)10-2)5(8)3-11-4/h3H,8H2,1-2H3.
What are the key properties of methyl 4-amino-2-methylthiophene-3-carboxylate?
methyl 4-amino-2-methylthiophene-3-carboxylate has a molecular weight of 171.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-methylthiophene-3-carboxylate is sourced from PubChem (CID 12710776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).