1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide

C17H21N5O4S2 — CID 55585660

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide (PubChem CID 55585660) has the molecular formula C17H21N5O4S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 55585660
• Molecular Formula: C17H21N5O4S2
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.10
• IUPAC Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide
• SMILES: Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCc2cn3ccsc3n2)C1
• InChI: InChI=1S/C17H21N5O4S2/c1-11-15(12(2)26-20-11)28(24,25)22-5-3-4-13(9-22)16(23)18-8-14-10-21-6-7-27-17(21)19-14/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,18,23)
• InChIKey: HAWBXZZIIDDAQN-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 109.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide?

The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide (CID 55585660) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCc2cn3ccsc3n2)C1.

What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide?

The InChIKey is HAWBXZZIIDDAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S2/c1-11-15(12(2)26-20-11)28(24,25)22-5-3-4-13(9-22)16(23)18-8-14-10-21-6-7-27-17(21)19-14/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,18,23).

What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide?

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55585660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).