1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one

C15H23N3OS — CID 70754973

IUPAC1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCc1csc(N2CCC(CCN3CCCC3=O)CC2)n1
InChIInChI=1S/C15H23N3OS/c1-12-11-20-15(16-12)18-9-5-13(6-10-18)4-8-17-7-2-3-14(17)19/h11,13H,2-10H2,1H3
InChIKeySXKFXRQMYGGLTM-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.68
Rot. Bonds4

About 1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 70754973) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID70754973
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCc1csc(N2CCC(CCN3CCCC3=O)CC2)n1
InChIInChI=1S/C15H23N3OS/c1-12-11-20-15(16-12)18-9-5-13(6-10-18)4-8-17-7-2-3-14(17)19/h11,13H,2-10H2,1H3
InChIKeySXKFXRQMYGGLTM-UHFFFAOYSA-N
XLogP2.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 70754973) is 1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one is Cc1csc(N2CCC(CCN3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is SXKFXRQMYGGLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-12-11-20-15(16-12)18-9-5-13(6-10-18)4-8-17-7-2-3-14(17)19/h11,13H,2-10H2,1H3.
What are the key properties of 1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 293.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70754973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).