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

C22H26FN5OS — CID 53187277

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

N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide (PubChem CID 53187277) has the molecular formula C22H26FN5OS and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
• PubChem CID: 53187277
• Molecular Formula: C22H26FN5OS
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.18
• IUPAC Name: N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
• SMILES: CN(C)CCNC(=O)C1CCN(c2nc3ccc(-c4ccc(F)cc4)nc3s2)CC1
• InChI: InChI=1S/C22H26FN5OS/c1-27(2)14-11-24-20(29)16-9-12-28(13-10-16)22-26-19-8-7-18(25-21(19)30-22)15-3-5-17(23)6-4-15/h3-8,16H,9-14H2,1-2H3,(H,24,29)
• InChIKey: ZETSQTWIKNIPGD-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide (CID 53187277) is N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide is CN(C)CCNC(=O)C1CCN(c2nc3ccc(-c4ccc(F)cc4)nc3s2)CC1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?

The InChIKey is ZETSQTWIKNIPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5OS/c1-27(2)14-11-24-20(29)16-9-12-28(13-10-16)22-26-19-8-7-18(25-21(19)30-22)15-3-5-17(23)6-4-15/h3-8,16H,9-14H2,1-2H3,(H,24,29).

What are the key properties of N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?

N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53187277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).