N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide

C19H24ClN5O2S — CID 88564930

About N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide

N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide (PubChem CID 88564930) has the molecular formula C19H24ClN5O2S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide
• PubChem CID: 88564930
• Molecular Formula: C19H24ClN5O2S
• Molecular Weight: 421.95 g/mol
• Exact Mass: 421.13
• IUPAC Name: N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide
• SMILES: COc1cc(N2CCc3nc(NC(=O)CC4CCNCC4)sc3C2)cnc1Cl
• InChI: InChI=1S/C19H24ClN5O2S/c1-27-15-9-13(10-22-18(15)20)25-7-4-14-16(11-25)28-19(23-14)24-17(26)8-12-2-5-21-6-3-12/h9-10,12,21H,2-8,11H2,1H3,(H,23,24,26)
• InChIKey: HJOCHGNIWNZWAY-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.95
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide?

The IUPAC name of N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide (CID 88564930) is N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide.

What is the SMILES notation for N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide?

The canonical SMILES for N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide is COc1cc(N2CCc3nc(NC(=O)CC4CCNCC4)sc3C2)cnc1Cl.

What is the InChIKey of N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide?

The InChIKey is HJOCHGNIWNZWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2S/c1-27-15-9-13(10-22-18(15)20)25-7-4-14-16(11-25)28-19(23-14)24-17(26)8-12-2-5-21-6-3-12/h9-10,12,21H,2-8,11H2,1H3,(H,23,24,26).

What are the key properties of N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide?

N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide has a molecular weight of 421.95 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 88564930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).