ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate

C14H11NO2S — CID 4713458

IUPACethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)sc1ccccc12
InChIInChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3
InChIKeyDMLIEGFLXSROFK-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.63
Rot. Bonds2

About ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate

ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate (PubChem CID 4713458) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate
PubChem CID4713458
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Nameethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)sc1ccccc12
InChIInChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3
InChIKeyDMLIEGFLXSROFK-UHFFFAOYSA-N
XLogP3.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate (CID 4713458) is ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1cc2c(cn1)sc1ccccc12.
What is the InChIKey of ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate?
The InChIKey is DMLIEGFLXSROFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3.
What are the key properties of ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate?
ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 4713458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).