[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone

C13H21N5OS — CID 119893656

IUPAC[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCCc1nsc(N2CCN(C(=O)C3CCNC3)CC2)n1
InChIInChI=1S/C13H21N5OS/c1-2-11-15-13(20-16-11)18-7-5-17(6-8-18)12(19)10-3-4-14-9-10/h10,14H,2-9H2,1H3
InChIKeyUKWLQBABGMVTPR-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.36
Rot. Bonds3

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

[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 119893656) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID119893656
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCCc1nsc(N2CCN(C(=O)C3CCNC3)CC2)n1
InChIInChI=1S/C13H21N5OS/c1-2-11-15-13(20-16-11)18-7-5-17(6-8-18)12(19)10-3-4-14-9-10/h10,14H,2-9H2,1H3
InChIKeyUKWLQBABGMVTPR-UHFFFAOYSA-N
XLogP0.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone 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 [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone (CID 119893656) is [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone is CCc1nsc(N2CCN(C(=O)C3CCNC3)CC2)n1.
What is the InChIKey of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is UKWLQBABGMVTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-2-11-15-13(20-16-11)18-7-5-17(6-8-18)12(19)10-3-4-14-9-10/h10,14H,2-9H2,1H3.
What are the key properties of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 295.41 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 119893656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).