ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate

C14H11N3O2S — CID 10016778

IUPACethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate
SMILESCCOC(=O)c1sc2c(C#N)c3ccccn3c2c1N
InChIInChI=1S/C14H11N3O2S/c1-2-19-14(18)13-10(16)11-12(20-13)8(7-15)9-5-3-4-6-17(9)11/h3-6H,2,16H2,1H3
InChIKeyNLWVYPFOTXWHTF-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.78
Rot. Bonds2

About ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate

ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate (PubChem CID 10016778) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate
PubChem CID10016778
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Nameethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate
SMILESCCOC(=O)c1sc2c(C#N)c3ccccn3c2c1N
InChIInChI=1S/C14H11N3O2S/c1-2-19-14(18)13-10(16)11-12(20-13)8(7-15)9-5-3-4-6-17(9)11/h3-6H,2,16H2,1H3
InChIKeyNLWVYPFOTXWHTF-UHFFFAOYSA-N
XLogP2.78
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-5-benzoyl-4-cyanothiophene-2-carboxylate
CID 110194656
ethyl 3-amino-4-cyano-5-phenylmethoxythiophene-2-carboxylate
CID 100766934
ethyl 3-amino-5-tert-butyl-4-cyanothiophene-2-carboxylate
CID 100766853
ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate
CID 4290243
ethyl 3-amino-4-cyano-5-(methylamino)thiophene-2-carboxylate
CID 103424239
ethyl 3-cyano-2-ethylindolizine-1-carboxylate
CID 86231080
ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate
CID 23046122
ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate
CID 14852386
ethyl 3-amino-4-cyano-5-piperidin-1-ylthiophene-2-carboxylate
CID 14579843
ethyl 3-cyano-2-(2-methylprop-2-enylsulfanyl)-4-oxoquinolizine-1-carboxylate
CID 19843302
ethyl 5-amino-4-cyano-3-[(2-hydroxybenzoyl)oxymethyl]thiophene-2-carboxylate
CID 7797984
ethyl 3-amino-4-cyano-5-(2-methylprop-2-enylamino)thiophene-2-carboxylate
CID 103507365

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate?
The IUPAC name of ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate (CID 10016778) is ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate?
The canonical SMILES for ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate is CCOC(=O)c1sc2c(C#N)c3ccccn3c2c1N.
What is the InChIKey of ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate?
The InChIKey is NLWVYPFOTXWHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-2-19-14(18)13-10(16)11-12(20-13)8(7-15)9-5-3-4-6-17(9)11/h3-6H,2,16H2,1H3.
What are the key properties of ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate?
ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate has a molecular weight of 285.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate is sourced from PubChem (CID 10016778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).