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

C20H15N5O2S — CID 35568218

IUPAC6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2nnc(-c3ccccc3)s2)nn1-c1ccccc1
InChIInChI=1S/C20H15N5O2S/c1-13-12-16(26)17(24-25(13)15-10-6-3-7-11-15)18(27)21-20-23-22-19(28-20)14-8-4-2-5-9-14/h2-12H,1H3,(H,21,23,27)
InChIKeyHLYVLBLMWVBCGF-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.31
Rot. Bonds4

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

6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide (PubChem CID 35568218) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
PubChem CID35568218
Molecular FormulaC20H15N5O2S
Molecular Weight389.44 g/mol
Exact Mass389.09
IUPAC Name6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2nnc(-c3ccccc3)s2)nn1-c1ccccc1
InChIInChI=1S/C20H15N5O2S/c1-13-12-16(26)17(24-25(13)15-10-6-3-7-11-15)18(27)21-20-23-22-19(28-20)14-8-4-2-5-9-14/h2-12H,1H3,(H,21,23,27)
InChIKeyHLYVLBLMWVBCGF-UHFFFAOYSA-N
XLogP3.31
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 55427141
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51073720
N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8565302
6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8810913
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 52542267
N-(2-fluoro-5-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 36670494
N-[4-(cyanomethyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27163514
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 17461236
N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17481644
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide (CID 35568218) is 6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2nnc(-c3ccccc3)s2)nn1-c1ccccc1.
What is the InChIKey of 6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?
The InChIKey is HLYVLBLMWVBCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S/c1-13-12-16(26)17(24-25(13)15-10-6-3-7-11-15)18(27)21-20-23-22-19(28-20)14-8-4-2-5-9-14/h2-12H,1H3,(H,21,23,27).
What are the key properties of 6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?
6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 35568218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).