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

C19H23N3OS — CID 97103499

IUPAC1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESC[C@H](NCc1nc(C2CC2)cs1)c1ccc(N2CCCC2=O)cc1
InChIInChI=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
InChIKeyVPBXIWKZQWTKSC-ZDUSSCGKSA-N
MW341.48 g/mol
LogP4.00
Rot. Bonds6

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 Name1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID97103499
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESC[C@H](NCc1nc(C2CC2)cs1)c1ccc(N2CCCC2=O)cc1
InChIInChI=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
InChIKeyVPBXIWKZQWTKSC-ZDUSSCGKSA-N
XLogP4.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).