2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide

C20H19ClN4O3S — CID 55877767

About 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide

2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide (PubChem CID 55877767) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
• PubChem CID: 55877767
• Molecular Formula: C20H19ClN4O3S
• Molecular Weight: 430.92 g/mol
• Exact Mass: 430.09
• IUPAC Name: 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
• SMILES: COCCNC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1Cl
• InChI: InChI=1S/C20H19ClN4O3S/c1-28-9-8-23-19(27)15-6-5-13(10-16(15)21)24-18(26)11-14-12-29-20(25-14)17-4-2-3-7-22-17/h2-7,10,12H,8-9,11H2,1H3,(H,23,27)(H,24,26)
• InChIKey: IJXPWXHFWDHYBN-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.92
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide?

The IUPAC name of 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide (CID 55877767) is 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide.

What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide?

The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide is COCCNC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1Cl.

What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide?

The InChIKey is IJXPWXHFWDHYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-28-9-8-23-19(27)15-6-5-13(10-16(15)21)24-18(26)11-14-12-29-20(25-14)17-4-2-3-7-22-17/h2-7,10,12H,8-9,11H2,1H3,(H,23,27)(H,24,26).

What are the key properties of 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide?

2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide has a molecular weight of 430.92 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55877767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).