N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde

C26H32N8O2S — CID 145231694

About N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde

N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde (PubChem CID 145231694) has the molecular formula C26H32N8O2S and a molecular weight of 520.66 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde.

Molecular Properties

• Compound Name: N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde
• PubChem CID: 145231694
• Molecular Formula: C26H32N8O2S
• Molecular Weight: 520.66 g/mol
• Exact Mass: 520.24
• IUPAC Name: N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde
• SMILES: CNc1cc2sc(N3CCNCC3)nc2nc1N1CCCCC1.Cc1cc(-c2nc(C=O)co2)ccn1
• InChI: InChI=1S/C16H24N6S.C10H8N2O2/c1-17-12-11-13-14(19-15(12)21-7-3-2-4-8-21)20-16(23-13)22-9-5-18-6-10-22;1-7-4-8(2-3-11-7)10-12-9(5-13)6-14-10/h11,17-18H,2-10H2,1H3;2-6H,1H3
• InChIKey: APJPCOCPYJNCIS-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 112.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.66
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde?

The IUPAC name of N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde (CID 145231694) is N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde.

What is the SMILES notation for N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde?

The canonical SMILES for N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde is CNc1cc2sc(N3CCNCC3)nc2nc1N1CCCCC1.Cc1cc(-c2nc(C=O)co2)ccn1.

What is the InChIKey of N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde?

The InChIKey is APJPCOCPYJNCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6S.C10H8N2O2/c1-17-12-11-13-14(19-15(12)21-7-3-2-4-8-21)20-16(23-13)22-9-5-18-6-10-22;1-7-4-8(2-3-11-7)10-12-9(5-13)6-14-10/h11,17-18H,2-10H2,1H3;2-6H,1H3.

What are the key properties of N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde?

N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde has a molecular weight of 520.66 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 145231694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).