N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide

C14H19N7O2S — CID 30897878

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide
SMILESCCc1nnc(NC(=O)Cn2ncc(N3CCNCC3)cc2=O)s1
InChIInChI=1S/C14H19N7O2S/c1-2-12-18-19-14(24-12)17-11(22)9-21-13(23)7-10(8-16-21)20-5-3-15-4-6-20/h7-8,15H,2-6,9H2,1H3,(H,17,19,22)
InChIKeyAOWNSAGYMKZGSS-UHFFFAOYSA-N
MW349.42 g/mol
LogP-0.29
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide (PubChem CID 30897878) has the molecular formula C14H19N7O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide
PubChem CID30897878
Molecular FormulaC14H19N7O2S
Molecular Weight349.42 g/mol
Exact Mass349.13
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide
SMILESCCc1nnc(NC(=O)Cn2ncc(N3CCNCC3)cc2=O)s1
InChIInChI=1S/C14H19N7O2S/c1-2-12-18-19-14(24-12)17-11(22)9-21-13(23)7-10(8-16-21)20-5-3-15-4-6-20/h7-8,15H,2-6,9H2,1H3,(H,17,19,22)
InChIKeyAOWNSAGYMKZGSS-UHFFFAOYSA-N
XLogP-0.29
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide 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 N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide (CID 30897878) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide is CCc1nnc(NC(=O)Cn2ncc(N3CCNCC3)cc2=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is AOWNSAGYMKZGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2S/c1-2-12-18-19-14(24-12)17-11(22)9-21-13(23)7-10(8-16-21)20-5-3-15-4-6-20/h7-8,15H,2-6,9H2,1H3,(H,17,19,22).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 349.42 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 30897878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).