1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one

C17H20N4OS — CID 123480114

IUPAC1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C17H20N4OS/c22-15-7-4-10-21(15)14-8-11-20(12-9-14)17-18-16(19-23-17)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKeyWUVDPQQAPOEKHU-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.80
Rot. Bonds3

About 1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 123480114) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID123480114
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C17H20N4OS/c22-15-7-4-10-21(15)14-8-11-20(12-9-14)17-18-16(19-23-17)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKeyWUVDPQQAPOEKHU-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]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-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one (CID 123480114) is 1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is WUVDPQQAPOEKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-15-7-4-10-21(15)14-8-11-20(12-9-14)17-18-16(19-23-17)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2.
What are the key properties of 1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 328.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 123480114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).