ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate

C16H14N2O2S — CID 690223

IUPACethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccccc3)ccc2c1N
InChIInChI=1S/C16H14N2O2S/c1-2-20-16(19)14-13(17)11-8-9-12(18-15(11)21-14)10-6-4-3-5-7-10/h3-9H,2,17H2,1H3
InChIKeyRHLVCLJIDVQESM-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.72
Rot. Bonds3

About ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 690223) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID690223
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Nameethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccccc3)ccc2c1N
InChIInChI=1S/C16H14N2O2S/c1-2-20-16(19)14-13(17)11-8-9-12(18-15(11)21-14)10-6-4-3-5-7-10/h3-9H,2,17H2,1H3
InChIKeyRHLVCLJIDVQESM-UHFFFAOYSA-N
XLogP3.72
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate (CID 690223) is ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccccc3)ccc2c1N.
What is the InChIKey of ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is RHLVCLJIDVQESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-2-20-16(19)14-13(17)11-8-9-12(18-15(11)21-14)10-6-4-3-5-7-10/h3-9H,2,17H2,1H3.
What are the key properties of ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 298.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 690223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).