N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C17H23N3O2S — CID 94180275

About N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 94180275) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
• PubChem CID: 94180275
• Molecular Formula: C17H23N3O2S
• Molecular Weight: 333.46 g/mol
• Exact Mass: 333.15
• IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(C)c(C(=O)NC[C@H](c2ccco2)N2CCCCC2)s1
• InChI: InChI=1S/C17H23N3O2S/c1-12-16(23-13(2)19-12)17(21)18-11-14(15-7-6-10-22-15)20-8-4-3-5-9-20/h6-7,10,14H,3-5,8-9,11H2,1-2H3,(H,18,21)/t14-/m1/s1
• InChIKey: AGMLKWNNKDPSDU-CQSZACIVSA-N
• XLogP: 3.31
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.46
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 94180275) is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC[C@H](c2ccco2)N2CCCCC2)s1.

What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?

The InChIKey is AGMLKWNNKDPSDU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-16(23-13(2)19-12)17(21)18-11-14(15-7-6-10-22-15)20-8-4-3-5-9-20/h6-7,10,14H,3-5,8-9,11H2,1-2H3,(H,18,21)/t14-/m1/s1.

What are the key properties of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 94180275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).