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

C23H24ClN5O3S — CID 1030181

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

4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide (PubChem CID 1030181) has the molecular formula C23H24ClN5O3S and a molecular weight of 486.00 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
• PubChem CID: 1030181
• Molecular Formula: C23H24ClN5O3S
• Molecular Weight: 486.00 g/mol
• Exact Mass: 485.13
• IUPAC Name: 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
• SMILES: CCCN(CC(=O)Nc1nc(CC(=O)NCc2ccccn2)cs1)C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C23H24ClN5O3S/c1-2-11-29(22(32)16-6-8-17(24)9-7-16)14-21(31)28-23-27-19(15-33-23)12-20(30)26-13-18-5-3-4-10-25-18/h3-10,15H,2,11-14H2,1H3,(H,26,30)(H,27,28,31)
• InChIKey: MFMVQJHKDNZPLJ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.00
LogP ≤ 5	3.54
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-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide?

The IUPAC name of 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide (CID 1030181) is 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)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-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide?

The canonical SMILES for 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1nc(CC(=O)NCc2ccccn2)cs1)C(=O)c1ccc(Cl)cc1.

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

The InChIKey is MFMVQJHKDNZPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3S/c1-2-11-29(22(32)16-6-8-17(24)9-7-16)14-21(31)28-23-27-19(15-33-23)12-20(30)26-13-18-5-3-4-10-25-18/h3-10,15H,2,11-14H2,1H3,(H,26,30)(H,27,28,31).

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

4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide has a molecular weight of 486.00 g/mol, XLogP of 3.54, 10 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-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide is sourced from PubChem (CID 1030181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).