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

C21H17N5O2S — CID 108803371

IUPAC2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCc1nnc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)s1
InChIInChI=1S/C21H17N5O2S/c1-13-23-24-21(29-13)22-19(27)17-16(14-9-5-3-6-10-14)18(25-26(2)20(17)28)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,22,24,27)
InChIKeyMFMCFEKNTLIFPJ-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.53
Rot. Bonds4

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

2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108803371) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108803371
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCc1nnc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)s1
InChIInChI=1S/C21H17N5O2S/c1-13-23-24-21(29-13)22-19(27)17-16(14-9-5-3-6-10-14)18(25-26(2)20(17)28)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,22,24,27)
InChIKeyMFMCFEKNTLIFPJ-UHFFFAOYSA-N
XLogP3.53
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide with MolForge

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Related Compounds

methyl 4-methyl-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 16876725
N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790558
N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790637
2-methyl-N-(5-methyl-2-pyridinyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803387
2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108727347
N-(4-hydroxy-2-methylphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790593
2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one
CID 108729601
2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
CID 108790559
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803346
2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803336
2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790705
ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
CID 108803402

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 108803371) is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide is Cc1nnc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is MFMCFEKNTLIFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c1-13-23-24-21(29-13)22-19(27)17-16(14-9-5-3-6-10-14)18(25-26(2)20(17)28)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,22,24,27).
What are the key properties of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 403.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108803371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).