5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine

C20H21N5S — CID 159314901

IUPAC5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCCCc2cc3c(nn2)CC(Cc2ccccc2)=C3)s1
InChIInChI=1S/C20H21N5S/c21-20-25-24-19(26-20)9-5-4-8-17-13-16-11-15(12-18(16)23-22-17)10-14-6-2-1-3-7-14/h1-3,6-7,11,13H,4-5,8-10,12H2,(H2,21,25)
InChIKeyLCZYOQHVCCAYPY-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.66
Rot. Bonds7

About 5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine

5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine (PubChem CID 159314901) has the molecular formula C20H21N5S and a molecular weight of 363.49 g/mol. Its IUPAC name is 5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
PubChem CID159314901
Molecular FormulaC20H21N5S
Molecular Weight363.49 g/mol
Exact Mass363.15
IUPAC Name5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCCCc2cc3c(nn2)CC(Cc2ccccc2)=C3)s1
InChIInChI=1S/C20H21N5S/c21-20-25-24-19(26-20)9-5-4-8-17-13-16-11-15(12-18(16)23-22-17)10-14-6-2-1-3-7-14/h1-3,6-7,11,13H,4-5,8-10,12H2,(H2,21,25)
InChIKeyLCZYOQHVCCAYPY-UHFFFAOYSA-N
XLogP3.66
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[3-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]pyridazin-3-amine
CID 146202165
5-[4-(6-Aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
CID 147726274
2-[6-[4-(5-Amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-phenylacetamide
CID 152337170
5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazole-2-carboxamide
CID 160852904
5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
CID 160962196
5-[3-(4-Pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine
CID 163812955
5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 11043401
5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 11053857
5-(3-Ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine
CID 104670740
5-(3,6-Dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine
CID 104670742
1-[6-[4-(5-Amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-3-phenylpropan-2-one
CID 157797540
5-[4-(7H-cyclopenta[c]pyridazin-3-yl)but-3-ynyl]-1,3,4-thiadiazol-2-amine
CID 161548187

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine (CID 159314901) is 5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CCCCc2cc3c(nn2)CC(Cc2ccccc2)=C3)s1.
What is the InChIKey of 5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LCZYOQHVCCAYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5S/c21-20-25-24-19(26-20)9-5-4-8-17-13-16-11-15(12-18(16)23-22-17)10-14-6-2-1-3-7-14/h1-3,6-7,11,13H,4-5,8-10,12H2,(H2,21,25).
What are the key properties of 5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine?
5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 363.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 159314901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).