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

C11H11NO3S — CID 43155551

IUPACethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccco2)cc1N
InChIInChI=1S/C11H11NO3S/c1-2-14-11(13)10-7(12)6-9(16-10)8-4-3-5-15-8/h3-6H,2,12H2,1H3
InChIKeyUOZYPKZQJUSTFF-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.77
Rot. Bonds3

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

ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate (PubChem CID 43155551) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate
PubChem CID43155551
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Nameethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccco2)cc1N
InChIInChI=1S/C11H11NO3S/c1-2-14-11(13)10-7(12)6-9(16-10)8-4-3-5-15-8/h3-6H,2,12H2,1H3
InChIKeyUOZYPKZQJUSTFF-UHFFFAOYSA-N
XLogP2.77
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-5-(3-ethylthiophen-2-yl)thiophene-2-carboxylate
CID 79976064
ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate
CID 43155562
ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
CID 43332711
ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate
CID 79807771
methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate
CID 43155482
ethyl 3-amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 10756767
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
ethyl 2-(furan-2-yl)thiophene-3-carboxylate
CID 10376255
ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate
CID 43155561
ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 19571601
ethyl 3-(furan-2-yl)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate
CID 171457453
ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
CID 103417485

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate (CID 43155551) is ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccco2)cc1N.
What is the InChIKey of ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate?
The InChIKey is UOZYPKZQJUSTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-2-14-11(13)10-7(12)6-9(16-10)8-4-3-5-15-8/h3-6H,2,12H2,1H3.
What are the key properties of ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate?
ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate has a molecular weight of 237.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 43155551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).