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

C16H19N5OS — CID 122133822

IUPAC1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CCN(c3ncns3)CC2)CCN1c1ccccc1
InChIInChI=1S/C16H19N5OS/c22-15-14(6-7-21(15)13-4-2-1-3-5-13)19-8-10-20(11-9-19)16-17-12-18-23-16/h1-5,12,14H,6-11H2
InChIKeyPBAZFIWFIACIMG-UHFFFAOYSA-N
MW329.43 g/mol
LogP1.47
Rot. Bonds3

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

1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122133822) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID122133822
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CCN(c3ncns3)CC2)CCN1c1ccccc1
InChIInChI=1S/C16H19N5OS/c22-15-14(6-7-21(15)13-4-2-1-3-5-13)19-8-10-20(11-9-19)16-17-12-18-23-16/h1-5,12,14H,6-11H2
InChIKeyPBAZFIWFIACIMG-UHFFFAOYSA-N
XLogP1.47
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-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-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one (CID 122133822) is 1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one is O=C1C(N2CCN(c3ncns3)CC2)CCN1c1ccccc1.
What is the InChIKey of 1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is PBAZFIWFIACIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c22-15-14(6-7-21(15)13-4-2-1-3-5-13)19-8-10-20(11-9-19)16-17-12-18-23-16/h1-5,12,14H,6-11H2.
What are the key properties of 1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one?
1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 329.43 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122133822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).