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

C15H19NO3S — CID 116687175

IUPACtert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate
SMILESCCc1c(-c2ccco2)sc(C(=O)OC(C)(C)C)c1N
InChIInChI=1S/C15H19NO3S/c1-5-9-11(16)13(14(17)19-15(2,3)4)20-12(9)10-7-6-8-18-10/h6-8H,5,16H2,1-4H3
InChIKeyWKTTXDRXUZEXAZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.11
Rot. Bonds3

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

tert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate (PubChem CID 116687175) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is tert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate
PubChem CID116687175
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Nametert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate
SMILESCCc1c(-c2ccco2)sc(C(=O)OC(C)(C)C)c1N
InChIInChI=1S/C15H19NO3S/c1-5-9-11(16)13(14(17)19-15(2,3)4)20-12(9)10-7-6-8-18-10/h6-8H,5,16H2,1-4H3
InChIKeyWKTTXDRXUZEXAZ-UHFFFAOYSA-N
XLogP4.11
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate?
The IUPAC name of tert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate (CID 116687175) is tert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate?
The canonical SMILES for tert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate is CCc1c(-c2ccco2)sc(C(=O)OC(C)(C)C)c1N.
What is the InChIKey of tert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate?
The InChIKey is WKTTXDRXUZEXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-5-9-11(16)13(14(17)19-15(2,3)4)20-12(9)10-7-6-8-18-10/h6-8H,5,16H2,1-4H3.
What are the key properties of tert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate?
tert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 116687175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).