N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

C20H22ClN5O3S — CID 16881375

About N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 16881375) has the molecular formula C20H22ClN5O3S and a molecular weight of 447.95 g/mol. Its IUPAC name is N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
• PubChem CID: 16881375
• Molecular Formula: C20H22ClN5O3S
• Molecular Weight: 447.95 g/mol
• Exact Mass: 447.11
• IUPAC Name: N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
• SMILES: O=C1CCC(C(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4Cl)CC3)cs2)N1
• InChI: InChI=1S/C20H22ClN5O3S/c21-14-3-1-2-4-16(14)25-7-9-26(10-8-25)18(28)11-13-12-30-20(22-13)24-19(29)15-5-6-17(27)23-15/h1-4,12,15H,5-11H2,(H,23,27)(H,22,24,29)
• InChIKey: PFYQGXAKOJIHGI-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.95
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 16881375) is N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.

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

The canonical SMILES for N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4Cl)CC3)cs2)N1.

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

The InChIKey is PFYQGXAKOJIHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3S/c21-14-3-1-2-4-16(14)25-7-9-26(10-8-25)18(28)11-13-12-30-20(22-13)24-19(29)15-5-6-17(27)23-15/h1-4,12,15H,5-11H2,(H,23,27)(H,22,24,29).

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

N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 447.95 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 16881375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).