1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

C28H35N5O2S — CID 53198598

About 1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 53198598) has the molecular formula C28H35N5O2S and a molecular weight of 505.69 g/mol. Its IUPAC name is 1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
• PubChem CID: 53198598
• Molecular Formula: C28H35N5O2S
• Molecular Weight: 505.69 g/mol
• Exact Mass: 505.25
• IUPAC Name: 1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
• SMILES: Cc1nsc2ncc(C(=O)N3CCCCC3)c(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c12
• InChI: InChI=1S/C28H35N5O2S/c1-18(2)20-7-9-22(10-8-20)30-26(34)21-11-15-32(16-12-21)25-23(28(35)33-13-5-4-6-14-33)17-29-27-24(25)19(3)31-36-27/h7-10,17-18,21H,4-6,11-16H2,1-3H3,(H,30,34)
• InChIKey: LDJAJMXVDCZLAL-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.69
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?

The IUPAC name of 1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 53198598) is 1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is Cc1nsc2ncc(C(=O)N3CCCCC3)c(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c12.

What is the InChIKey of 1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?

The InChIKey is LDJAJMXVDCZLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2S/c1-18(2)20-7-9-22(10-8-20)30-26(34)21-11-15-32(16-12-21)25-23(28(35)33-13-5-4-6-14-33)17-29-27-24(25)19(3)31-36-27/h7-10,17-18,21H,4-6,11-16H2,1-3H3,(H,30,34).

What are the key properties of 1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?

1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 505.69 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53198598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).