2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

C17H22N4O3S — CID 119491044

About 2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 119491044) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
• PubChem CID: 119491044
• Molecular Formula: C17H22N4O3S
• Molecular Weight: 362.46 g/mol
• Exact Mass: 362.14
• IUPAC Name: 2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
• SMILES: CNC1CCCN(C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)C1
• InChI: InChI=1S/C17H22N4O3S/c1-11-14(5-7-24-11)16(23)20-17-19-13(10-25-17)8-15(22)21-6-3-4-12(9-21)18-2/h5,7,10,12,18H,3-4,6,8-9H2,1-2H3,(H,19,20,23)
• InChIKey: JYIWNQFUESNGRF-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.46
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?

The IUPAC name of 2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (CID 119491044) is 2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?

The canonical SMILES for 2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is CNC1CCCN(C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)C1.

What is the InChIKey of 2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?

The InChIKey is JYIWNQFUESNGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11-14(5-7-24-11)16(23)20-17-19-13(10-25-17)8-15(22)21-6-3-4-12(9-21)18-2/h5,7,10,12,18H,3-4,6,8-9H2,1-2H3,(H,19,20,23).

What are the key properties of 2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?

2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 119491044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).