methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate

C12H13NO3S — CID 61313379

IUPACmethyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate
SMILESCCc1c(-c2ccco2)sc(C(=O)OC)c1N
InChIInChI=1S/C12H13NO3S/c1-3-7-9(13)11(12(14)15-2)17-10(7)8-5-4-6-16-8/h4-6H,3,13H2,1-2H3
InChIKeyQXZVBTSTNQLHSC-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.94
Rot. Bonds3

About methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate

methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate (PubChem CID 61313379) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate
PubChem CID61313379
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Namemethyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate
SMILESCCc1c(-c2ccco2)sc(C(=O)OC)c1N
InChIInChI=1S/C12H13NO3S/c1-3-7-9(13)11(12(14)15-2)17-10(7)8-5-4-6-16-8/h4-6H,3,13H2,1-2H3
InChIKeyQXZVBTSTNQLHSC-UHFFFAOYSA-N
XLogP2.94
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate (CID 61313379) is methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate is CCc1c(-c2ccco2)sc(C(=O)OC)c1N.
What is the InChIKey of methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate?
The InChIKey is QXZVBTSTNQLHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-3-7-9(13)11(12(14)15-2)17-10(7)8-5-4-6-16-8/h4-6H,3,13H2,1-2H3.
What are the key properties of methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate?
methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate has a molecular weight of 251.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 61313379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).