3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide

C22H21N5O3S — CID 4584985

About 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide

3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide (PubChem CID 4584985) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide
• PubChem CID: 4584985
• Molecular Formula: C22H21N5O3S
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.14
• IUPAC Name: 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide
• SMILES: Cc1cccc(C(=O)NCC(=O)N2CCCN2C(=O)c2csc(-c3cccnc3)n2)c1
• InChI: InChI=1S/C22H21N5O3S/c1-15-5-2-6-16(11-15)20(29)24-13-19(28)26-9-4-10-27(26)22(30)18-14-31-21(25-18)17-7-3-8-23-12-17/h2-3,5-8,11-12,14H,4,9-10,13H2,1H3,(H,24,29)
• InChIKey: SXUSZOXDLZNQSQ-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide?

The IUPAC name of 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide (CID 4584985) is 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide.

What is the SMILES notation for 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide?

The canonical SMILES for 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide is Cc1cccc(C(=O)NCC(=O)N2CCCN2C(=O)c2csc(-c3cccnc3)n2)c1.

What is the InChIKey of 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide?

The InChIKey is SXUSZOXDLZNQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-15-5-2-6-16(11-15)20(29)24-13-19(28)26-9-4-10-27(26)22(30)18-14-31-21(25-18)17-7-3-8-23-12-17/h2-3,5-8,11-12,14H,4,9-10,13H2,1H3,(H,24,29).

What are the key properties of 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide?

3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide has a molecular weight of 435.51 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 4584985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).