2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone

C15H19N5OS2 — CID 851626

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone
SMILESNc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C15H19N5OS2/c16-14-17-18-15(23-14)22-11-13(21)20-8-6-19(7-9-20)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,16,17)
InChIKeyKFQVBMYIVLDQKV-UHFFFAOYSA-N
MW349.49 g/mol
LogP1.56
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone (PubChem CID 851626) has the molecular formula C15H19N5OS2 and a molecular weight of 349.49 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone
PubChem CID851626
Molecular FormulaC15H19N5OS2
Molecular Weight349.49 g/mol
Exact Mass349.10
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone
SMILESNc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C15H19N5OS2/c16-14-17-18-15(23-14)22-11-13(21)20-8-6-19(7-9-20)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,16,17)
InChIKeyKFQVBMYIVLDQKV-UHFFFAOYSA-N
XLogP1.56
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone 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 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone (CID 851626) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone is Nc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone?
The InChIKey is KFQVBMYIVLDQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS2/c16-14-17-18-15(23-14)22-11-13(21)20-8-6-19(7-9-20)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,16,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone has a molecular weight of 349.49 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone is sourced from PubChem (CID 851626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).