2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide

C26H27N5O2S — CID 108803455

IUPAC2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(CC)c2=O)s1
InChIInChI=1S/C26H27N5O2S/c1-4-17(5-2)24-28-29-26(34-24)27-23(32)21-20(18-13-9-7-10-14-18)22(19-15-11-8-12-16-19)30-31(6-3)25(21)33/h7-17H,4-6H2,1-3H3,(H,27,29,32)
InChIKeyLPAHFSRHMCOXJF-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.60
Rot. Bonds8

About 2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide

2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108803455) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108803455
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC Name2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(CC)c2=O)s1
InChIInChI=1S/C26H27N5O2S/c1-4-17(5-2)24-28-29-26(34-24)27-23(32)21-20(18-13-9-7-10-14-18)22(19-15-11-8-12-16-19)30-31(6-3)25(21)33/h7-17H,4-6H2,1-3H3,(H,27,29,32)
InChIKeyLPAHFSRHMCOXJF-UHFFFAOYSA-N
XLogP5.60
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-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

2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108739068
N-(2,3-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790783
2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803513
4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108803452
N-(2,3-dichlorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790725
5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 29298840
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803445
N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790832
N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790773
N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790852
2-ethyl-3-oxo-5,6-diphenyl-N-quinolin-8-ylpyridazine-4-carboxamide
CID 108790850

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of 2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide (CID 108803455) is 2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for 2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for 2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide is CCC(CC)c1nnc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(CC)c2=O)s1.
What is the InChIKey of 2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is LPAHFSRHMCOXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-4-17(5-2)24-28-29-26(34-24)27-23(32)21-20(18-13-9-7-10-14-18)22(19-15-11-8-12-16-19)30-31(6-3)25(21)33/h7-17H,4-6H2,1-3H3,(H,27,29,32).
What are the key properties of 2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide?
2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108803455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).