[1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

C20H26N4O3S — CID 78881427

About [1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 78881427) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is [1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
• PubChem CID: 78881427
• Molecular Formula: C20H26N4O3S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.17
• IUPAC Name: [1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
• SMILES: Cc1cc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(C)n1-c1nccs1
• InChI: InChI=1S/C20H26N4O3S/c1-14-13-17(15(2)24(14)20-21-5-12-28-20)19(26)22-6-3-16(4-7-22)18(25)23-8-10-27-11-9-23/h5,12-13,16H,3-4,6-11H2,1-2H3
• InChIKey: AZKXWRIOQHZMQN-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 67.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?

The IUPAC name of [1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 78881427) is [1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is Cc1cc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(C)n1-c1nccs1.

What is the InChIKey of [1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?

The InChIKey is AZKXWRIOQHZMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14-13-17(15(2)24(14)20-21-5-12-28-20)19(26)22-6-3-16(4-7-22)18(25)23-8-10-27-11-9-23/h5,12-13,16H,3-4,6-11H2,1-2H3.

What are the key properties of [1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?

[1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 402.52 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 78881427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).