4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C22H28ClN5O3S — CID 59698895

About 4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 59698895) has the molecular formula C22H28ClN5O3S and a molecular weight of 478.02 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 59698895
• Molecular Formula: C22H28ClN5O3S
• Molecular Weight: 478.02 g/mol
• Exact Mass: 477.16
• IUPAC Name: 4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
• SMILES: O=C(Nc1nc(CC(=O)N2CCN(CCN3CCOCC3)CC2)cs1)c1ccc(Cl)cc1
• InChI: InChI=1S/C22H28ClN5O3S/c23-18-3-1-17(2-4-18)21(30)25-22-24-19(16-32-22)15-20(29)28-9-7-26(8-10-28)5-6-27-11-13-31-14-12-27/h1-4,16H,5-15H2,(H,24,25,30)
• InChIKey: PCDLTRJMOBINAM-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.02
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 59698895) is 4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(CC(=O)N2CCN(CCN3CCOCC3)CC2)cs1)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is PCDLTRJMOBINAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O3S/c23-18-3-1-17(2-4-18)21(30)25-22-24-19(16-32-22)15-20(29)28-9-7-26(8-10-28)5-6-27-11-13-31-14-12-27/h1-4,16H,5-15H2,(H,24,25,30).

What are the key properties of 4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 478.02 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 59698895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).