N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

C22H26N4O2S — CID 20952109

IUPACN-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1
InChIInChI=1S/C22H26N4O2S/c1-2-28-18-7-5-16(6-8-18)9-13-23-20(27)17-10-14-26(15-11-17)22-25-19-4-3-12-24-21(19)29-22/h3-8,12,17H,2,9-11,13-15H2,1H3,(H,23,27)
InChIKeyBDAFEIQLFWWNQQ-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.67
Rot. Bonds7

About N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 20952109) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID20952109
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1
InChIInChI=1S/C22H26N4O2S/c1-2-28-18-7-5-16(6-8-18)9-13-23-20(27)17-10-14-26(15-11-17)22-25-19-4-3-12-24-21(19)29-22/h3-8,12,17H,2,9-11,13-15H2,1H3,(H,23,27)
InChIKeyBDAFEIQLFWWNQQ-UHFFFAOYSA-N
XLogP3.67
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide 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 N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 20952109) is N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is CCOc1ccc(CCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is BDAFEIQLFWWNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-2-28-18-7-5-16(6-8-18)9-13-23-20(27)17-10-14-26(15-11-17)22-25-19-4-3-12-24-21(19)29-22/h3-8,12,17H,2,9-11,13-15H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20952109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).