ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate

C13H23NO2S — CID 144715507

IUPACethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate
SMILESCC.CCOC(=O)c1sc(C(C)(C)C)cc1N
InChIInChI=1S/C11H17NO2S.C2H6/c1-5-14-10(13)9-7(12)6-8(15-9)11(2,3)4;1-2/h6H,5,12H2,1-4H3;1-2H3
InChIKeyYILQYHRNYJCHIV-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.83
Rot. Bonds2

About ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate

ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate (PubChem CID 144715507) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate
PubChem CID144715507
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Nameethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate
SMILESCC.CCOC(=O)c1sc(C(C)(C)C)cc1N
InChIInChI=1S/C11H17NO2S.C2H6/c1-5-14-10(13)9-7(12)6-8(15-9)11(2,3)4;1-2/h6H,5,12H2,1-4H3;1-2H3
InChIKeyYILQYHRNYJCHIV-UHFFFAOYSA-N
XLogP3.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
CID 103417485
ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate
CID 103425959
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate
CID 43155562
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421088
ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate
CID 79807771
ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate
CID 43155551
ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
CID 43332711
ethyl 3-amino-5-(3-ethylthiophen-2-yl)thiophene-2-carboxylate
CID 79976064
ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425003

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate?
The IUPAC name of ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate (CID 144715507) is ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate.
What is the SMILES notation for ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate?
The canonical SMILES for ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate is CC.CCOC(=O)c1sc(C(C)(C)C)cc1N.
What is the InChIKey of ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate?
The InChIKey is YILQYHRNYJCHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.C2H6/c1-5-14-10(13)9-7(12)6-8(15-9)11(2,3)4;1-2/h6H,5,12H2,1-4H3;1-2H3.
What are the key properties of ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate?
ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate has a molecular weight of 257.40 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate is sourced from PubChem (CID 144715507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).