1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one

C19H23N3OS — CID 97103499

About 1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one

1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 97103499) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
• PubChem CID: 97103499
• Molecular Formula: C19H23N3OS
• Molecular Weight: 341.48 g/mol
• Exact Mass: 341.16
• IUPAC Name: 1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
• SMILES: C[C@H](NCc1nc(C2CC2)cs1)c1ccc(N2CCCC2=O)cc1
• InChI: InChI=1S/C19H23N3OS/c1-13(20-11-18-21-17(12-24-18)15-4-5-15)14-6-8-16(9-7-14)22-10-2-3-19(22)23/h6-9,12-13,15,20H,2-5,10-11H2,1H3/t13-/m0/s1
• InChIKey: VPBXIWKZQWTKSC-ZDUSSCGKSA-N
• XLogP: 4.00
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.48
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?

The IUPAC name of 1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one (CID 97103499) is 1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?

The canonical SMILES for 1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one is C[C@H](NCc1nc(C2CC2)cs1)c1ccc(N2CCCC2=O)cc1.

What is the InChIKey of 1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?

The InChIKey is VPBXIWKZQWTKSC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-13(20-11-18-21-17(12-24-18)15-4-5-15)14-6-8-16(9-7-14)22-10-2-3-19(22)23/h6-9,12-13,15,20H,2-5,10-11H2,1H3/t13-/m0/s1.

What are the key properties of 1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?

1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 341.48 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 97103499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).