methyl 3-amino-5-methylthiophene-2-carboxylate

C7H9NO2S — CID 818952

IUPACmethyl 3-amino-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)cc1N
InChIInChI=1S/C7H9NO2S/c1-4-3-5(8)6(11-4)7(9)10-2/h3H,8H2,1-2H3
InChIKeyFVKMOPIFLCMZMI-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.43
Rot. Bonds1

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

methyl 3-amino-5-methylthiophene-2-carboxylate (PubChem CID 818952) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is methyl 3-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-methylthiophene-2-carboxylate
PubChem CID818952
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Namemethyl 3-amino-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)cc1N
InChIInChI=1S/C7H9NO2S/c1-4-3-5(8)6(11-4)7(9)10-2/h3H,8H2,1-2H3
InChIKeyFVKMOPIFLCMZMI-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 3-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-methylthiophene-2-carboxylate (CID 818952) is methyl 3-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-methylthiophene-2-carboxylate is COC(=O)c1sc(C)cc1N.
What is the InChIKey of methyl 3-amino-5-methylthiophene-2-carboxylate?
The InChIKey is FVKMOPIFLCMZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-4-3-5(8)6(11-4)7(9)10-2/h3H,8H2,1-2H3.
What are the key properties of methyl 3-amino-5-methylthiophene-2-carboxylate?
methyl 3-amino-5-methylthiophene-2-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 3-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 818952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).