3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide

C23H23Cl2N5O3S — CID 1030145

About 3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide

3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide (PubChem CID 1030145) has the molecular formula C23H23Cl2N5O3S and a molecular weight of 520.44 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
• PubChem CID: 1030145
• Molecular Formula: C23H23Cl2N5O3S
• Molecular Weight: 520.44 g/mol
• Exact Mass: 519.09
• IUPAC Name: 3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
• SMILES: CC(C)N(CC(=O)Nc1nc(CC(=O)NCc2ccccn2)cs1)C(=O)c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C23H23Cl2N5O3S/c1-14(2)30(22(33)15-6-7-18(24)19(25)9-15)12-21(32)29-23-28-17(13-34-23)10-20(31)27-11-16-5-3-4-8-26-16/h3-9,13-14H,10-12H2,1-2H3,(H,27,31)(H,28,29,32)
• InChIKey: VOWXMAJEPTYQKB-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.44
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide?

The IUPAC name of 3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide (CID 1030145) is 3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide.

What is the SMILES notation for 3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide?

The canonical SMILES for 3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide is CC(C)N(CC(=O)Nc1nc(CC(=O)NCc2ccccn2)cs1)C(=O)c1ccc(Cl)c(Cl)c1.

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

The InChIKey is VOWXMAJEPTYQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O3S/c1-14(2)30(22(33)15-6-7-18(24)19(25)9-15)12-21(32)29-23-28-17(13-34-23)10-20(31)27-11-16-5-3-4-8-26-16/h3-9,13-14H,10-12H2,1-2H3,(H,27,31)(H,28,29,32).

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

3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide has a molecular weight of 520.44 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1030145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).