2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide

C22H28ClN5O2S — CID 43039514

About 2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 43039514) has the molecular formula C22H28ClN5O2S and a molecular weight of 462.02 g/mol. Its IUPAC name is 2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

• Compound Name: 2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide
• PubChem CID: 43039514
• Molecular Formula: C22H28ClN5O2S
• Molecular Weight: 462.02 g/mol
• Exact Mass: 461.17
• IUPAC Name: 2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide
• SMILES: CC(C(=O)NC1CC1)N1CCN(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1
• InChI: InChI=1S/C22H28ClN5O2S/c1-15(21(30)25-17-6-7-17)28-10-8-27(9-11-28)14-20(29)26-22-24-13-18(31-22)12-16-4-2-3-5-19(16)23/h2-5,13,15,17H,6-12,14H2,1H3,(H,25,30)(H,24,26,29)
• InChIKey: MFNMKLSZIWNALC-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.02
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide?

The IUPAC name of 2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 43039514) is 2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide.

What is the SMILES notation for 2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide?

The canonical SMILES for 2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1.

What is the InChIKey of 2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide?

The InChIKey is MFNMKLSZIWNALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2S/c1-15(21(30)25-17-6-7-17)28-10-8-27(9-11-28)14-20(29)26-22-24-13-18(31-22)12-16-4-2-3-5-19(16)23/h2-5,13,15,17H,6-12,14H2,1H3,(H,25,30)(H,24,26,29).

What are the key properties of 2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide?

2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 462.02 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 43039514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).