ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate

C11H11N3O3S — CID 72945355

IUPACethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(N)ncc(C(N)=O)c2s1
InChIInChI=1S/C11H11N3O3S/c1-2-17-11(16)7-3-5-8(18-7)6(10(13)15)4-14-9(5)12/h3-4H,2H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyILIWEGCPHDAYHC-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.15
Rot. Bonds3

About ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate

ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate (PubChem CID 72945355) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate
PubChem CID72945355
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Nameethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(N)ncc(C(N)=O)c2s1
InChIInChI=1S/C11H11N3O3S/c1-2-17-11(16)7-3-5-8(18-7)6(10(13)15)4-14-9(5)12/h3-4H,2H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyILIWEGCPHDAYHC-UHFFFAOYSA-N
XLogP1.15
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate (CID 72945355) is ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1cc2c(N)ncc(C(N)=O)c2s1.
What is the InChIKey of ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate?
The InChIKey is ILIWEGCPHDAYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-2-17-11(16)7-3-5-8(18-7)6(10(13)15)4-14-9(5)12/h3-4H,2H2,1H3,(H2,12,14)(H2,13,15).
What are the key properties of ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate?
ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate has a molecular weight of 265.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 72945355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).