N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide

C20H21N5O2S — CID 26350511

About N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide

N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide (PubChem CID 26350511) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide
• PubChem CID: 26350511
• Molecular Formula: C20H21N5O2S
• Molecular Weight: 395.49 g/mol
• Exact Mass: 395.14
• IUPAC Name: N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide
• SMILES: O=C(Nc1cnn(CC(=O)N2CCCC[C@@H]2c2nccs2)c1)c1ccccc1
• InChI: InChI=1S/C20H21N5O2S/c26-18(25-10-5-4-8-17(25)20-21-9-11-28-20)14-24-13-16(12-22-24)23-19(27)15-6-2-1-3-7-15/h1-3,6-7,9,11-13,17H,4-5,8,10,14H2,(H,23,27)/t17-/m1/s1
• InChIKey: JJEBGMDNQWSXQY-QGZVFWFLSA-N
• XLogP: 3.35
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.49
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide?

The IUPAC name of N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide (CID 26350511) is N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide.

What is the SMILES notation for N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide?

The canonical SMILES for N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(CC(=O)N2CCCC[C@@H]2c2nccs2)c1)c1ccccc1.

What is the InChIKey of N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide?

The InChIKey is JJEBGMDNQWSXQY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N5O2S/c26-18(25-10-5-4-8-17(25)20-21-9-11-28-20)14-24-13-16(12-22-24)23-19(27)15-6-2-1-3-7-15/h1-3,6-7,9,11-13,17H,4-5,8,10,14H2,(H,23,27)/t17-/m1/s1.

What are the key properties of N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide?

N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide has a molecular weight of 395.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 26350511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).