ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate

C14H15NO2S — CID 4715204

IUPACethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(C)cc2)cc1N
InChIInChI=1S/C14H15NO2S/c1-3-17-14(16)13-11(15)8-12(18-13)10-6-4-9(2)5-7-10/h4-8H,3,15H2,1-2H3
InChIKeyAGQZOTASEBVECH-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.48
Rot. Bonds3

About ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate

ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate (PubChem CID 4715204) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate
PubChem CID4715204
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Nameethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(C)cc2)cc1N
InChIInChI=1S/C14H15NO2S/c1-3-17-14(16)13-11(15)8-12(18-13)10-6-4-9(2)5-7-10/h4-8H,3,15H2,1-2H3
InChIKeyAGQZOTASEBVECH-UHFFFAOYSA-N
XLogP3.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate (CID 4715204) is ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccc(C)cc2)cc1N.
What is the InChIKey of ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate?
The InChIKey is AGQZOTASEBVECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-17-14(16)13-11(15)8-12(18-13)10-6-4-9(2)5-7-10/h4-8H,3,15H2,1-2H3.
What are the key properties of ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate?
ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate has a molecular weight of 261.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 4715204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).