1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide

C23H22ClN3O2S — CID 108809814

About 1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108809814) has the molecular formula C23H22ClN3O2S and a molecular weight of 439.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 108809814
• Molecular Formula: C23H22ClN3O2S
• Molecular Weight: 439.97 g/mol
• Exact Mass: 439.11
• IUPAC Name: 1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1nc(-c2ccc(CCNC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)cs1
• InChI: InChI=1S/C23H22ClN3O2S/c1-15-26-21(14-30-15)17-4-2-16(3-5-17)10-11-25-23(29)18-12-22(28)27(13-18)20-8-6-19(24)7-9-20/h2-9,14,18H,10-13H2,1H3,(H,25,29)
• InChIKey: ABKBXXAGSGXVOB-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.97
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 108809814) is 1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide.

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

The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(-c2ccc(CCNC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)cs1.

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

The InChIKey is ABKBXXAGSGXVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2S/c1-15-26-21(14-30-15)17-4-2-16(3-5-17)10-11-25-23(29)18-12-22(28)27(13-18)20-8-6-19(24)7-9-20/h2-9,14,18H,10-13H2,1H3,(H,25,29).

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

1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 439.97 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108809814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).