4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide

C24H26ClN5O3S — CID 3463098

About 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide

4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide (PubChem CID 3463098) has the molecular formula C24H26ClN5O3S and a molecular weight of 500.02 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
• PubChem CID: 3463098
• Molecular Formula: C24H26ClN5O3S
• Molecular Weight: 500.02 g/mol
• Exact Mass: 499.14
• IUPAC Name: 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
• SMILES: CCCN(CC(=O)Nc1nc(CC(=O)NCCc2ccccn2)cs1)C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H26ClN5O3S/c1-2-13-30(23(33)17-6-8-18(25)9-7-17)15-22(32)29-24-28-20(16-34-24)14-21(31)27-12-10-19-5-3-4-11-26-19/h3-9,11,16H,2,10,12-15H2,1H3,(H,27,31)(H,28,29,32)
• InChIKey: CSIXGBAMNUKWDR-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.02
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide?

The IUPAC name of 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide (CID 3463098) is 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide.

What is the SMILES notation for 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide?

The canonical SMILES for 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1nc(CC(=O)NCCc2ccccn2)cs1)C(=O)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide?

The InChIKey is CSIXGBAMNUKWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3S/c1-2-13-30(23(33)17-6-8-18(25)9-7-17)15-22(32)29-24-28-20(16-34-24)14-21(31)27-12-10-19-5-3-4-11-26-19/h3-9,11,16H,2,10,12-15H2,1H3,(H,27,31)(H,28,29,32).

What are the key properties of 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide?

4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide has a molecular weight of 500.02 g/mol, XLogP of 3.58, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide is sourced from PubChem (CID 3463098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).