4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one

C7H11N5OS — CID 80607505

IUPAC4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
SMILESNc1nnc(CN2CCNC(=O)C2)s1
InChIInChI=1S/C7H11N5OS/c8-7-11-10-6(14-7)4-12-2-1-9-5(13)3-12/h1-4H2,(H2,8,11)(H,9,13)
InChIKeyQSUFTFXBIHCLHD-UHFFFAOYSA-N
MW213.27 g/mol
LogP-0.95
Rot. Bonds2

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

4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one (PubChem CID 80607505) has the molecular formula C7H11N5OS and a molecular weight of 213.27 g/mol. Its IUPAC name is 4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
PubChem CID80607505
Molecular FormulaC7H11N5OS
Molecular Weight213.27 g/mol
Exact Mass213.07
IUPAC Name4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
SMILESNc1nnc(CN2CCNC(=O)C2)s1
InChIInChI=1S/C7H11N5OS/c8-7-11-10-6(14-7)4-12-2-1-9-5(13)3-12/h1-4H2,(H2,8,11)(H,9,13)
InChIKeyQSUFTFXBIHCLHD-UHFFFAOYSA-N
XLogP-0.95
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-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 4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one (CID 80607505) is 4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one is Nc1nnc(CN2CCNC(=O)C2)s1.
What is the InChIKey of 4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
The InChIKey is QSUFTFXBIHCLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5OS/c8-7-11-10-6(14-7)4-12-2-1-9-5(13)3-12/h1-4H2,(H2,8,11)(H,9,13).
What are the key properties of 4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one has a molecular weight of 213.27 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 80607505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).