ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

C20H21N3O2S — CID 2416343

IUPACethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C20H21N3O2S/c1-2-25-19(24)15-13-16(14-9-5-3-6-10-14)21-18-17(15)26-20(22-18)23-11-7-4-8-12-23/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3
InChIKeyHNYXBAGQVNJBTC-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.53
Rot. Bonds4

About ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate (PubChem CID 2416343) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
PubChem CID2416343
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Nameethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C20H21N3O2S/c1-2-25-19(24)15-13-16(14-9-5-3-6-10-14)21-18-17(15)26-20(22-18)23-11-7-4-8-12-23/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3
InChIKeyHNYXBAGQVNJBTC-UHFFFAOYSA-N
XLogP4.53
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-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 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The IUPAC name of ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate (CID 2416343) is ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The canonical SMILES for ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12.
What is the InChIKey of ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The InChIKey is HNYXBAGQVNJBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-2-25-19(24)15-13-16(14-9-5-3-6-10-14)21-18-17(15)26-20(22-18)23-11-7-4-8-12-23/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3.
What are the key properties of ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate has a molecular weight of 367.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate is sourced from PubChem (CID 2416343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).