6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide

C15H21N5O2S — CID 30730918

IUPAC6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2ccc(=O)n(CCC)n2)s1
InChIInChI=1S/C15H21N5O2S/c1-3-5-6-7-12-17-18-15(23-12)16-14(22)11-8-9-13(21)20(19-11)10-4-2/h8-9H,3-7,10H2,1-2H3,(H,16,18,22)
InChIKeyFNFAEWUJCLZCEF-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.49
Rot. Bonds8

About 6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide

6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide (PubChem CID 30730918) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide
PubChem CID30730918
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2ccc(=O)n(CCC)n2)s1
InChIInChI=1S/C15H21N5O2S/c1-3-5-6-7-12-17-18-15(23-12)16-14(22)11-8-9-13(21)20(19-11)10-4-2/h8-9H,3-7,10H2,1-2H3,(H,16,18,22)
InChIKeyFNFAEWUJCLZCEF-UHFFFAOYSA-N
XLogP2.49
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide 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

1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 18081137
1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 35565819
1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 24647725
1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 121066950
1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 55630949
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 134700188
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 18089744
N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 26197186
3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 26209843

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide (CID 30730918) is 6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide is CCCCCc1nnc(NC(=O)c2ccc(=O)n(CCC)n2)s1.
What is the InChIKey of 6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide?
The InChIKey is FNFAEWUJCLZCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-5-6-7-12-17-18-15(23-12)16-14(22)11-8-9-13(21)20(19-11)10-4-2/h8-9H,3-7,10H2,1-2H3,(H,16,18,22).
What are the key properties of 6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide?
6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 30730918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).