methyl 2-amino-5-phenylthiophene-3-carboxylate

C12H11NO2S — CID 705256

IUPACmethyl 2-amino-5-phenylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)sc1N
InChIInChI=1S/C12H11NO2S/c1-15-12(14)9-7-10(16-11(9)13)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChIKeyQKYRXLPXSJZIQM-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.78
Rot. Bonds2

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

methyl 2-amino-5-phenylthiophene-3-carboxylate (PubChem CID 705256) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is methyl 2-amino-5-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-phenylthiophene-3-carboxylate
PubChem CID705256
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Namemethyl 2-amino-5-phenylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)sc1N
InChIInChI=1S/C12H11NO2S/c1-15-12(14)9-7-10(16-11(9)13)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChIKeyQKYRXLPXSJZIQM-UHFFFAOYSA-N
XLogP2.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.78
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-phenylthiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-5-phenylthiophene-3-carboxylate (CID 705256) is methyl 2-amino-5-phenylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-phenylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-phenylthiophene-3-carboxylate is COC(=O)c1cc(-c2ccccc2)sc1N.
What is the InChIKey of methyl 2-amino-5-phenylthiophene-3-carboxylate?
The InChIKey is QKYRXLPXSJZIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-15-12(14)9-7-10(16-11(9)13)8-5-3-2-4-6-8/h2-7H,13H2,1H3.
What are the key properties of methyl 2-amino-5-phenylthiophene-3-carboxylate?
methyl 2-amino-5-phenylthiophene-3-carboxylate has a molecular weight of 233.29 g/mol, XLogP of 2.78, 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-phenylthiophene-3-carboxylate is sourced from PubChem (CID 705256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).