1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C19H21N5O4S2 — CID 46365813

About 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 46365813) has the molecular formula C19H21N5O4S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 46365813
• Molecular Formula: C19H21N5O4S2
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.10
• IUPAC Name: 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
• SMILES: Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3cccc(-c4noc(C)n4)c3)CC2)n1
• InChI: InChI=1S/C19H21N5O4S2/c1-12-11-29-19(20-12)22-18(25)14-6-8-24(9-7-14)30(26,27)16-5-3-4-15(10-16)17-21-13(2)28-23-17/h3-5,10-11,14H,6-9H2,1-2H3,(H,20,22,25)
• InChIKey: MLJACUGOMJFHPF-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 118.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 46365813) is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3cccc(-c4noc(C)n4)c3)CC2)n1.

What is the InChIKey of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The InChIKey is MLJACUGOMJFHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S2/c1-12-11-29-19(20-12)22-18(25)14-6-8-24(9-7-14)30(26,27)16-5-3-4-15(10-16)17-21-13(2)28-23-17/h3-5,10-11,14H,6-9H2,1-2H3,(H,20,22,25).

What are the key properties of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46365813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).