2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide

C28H22N4O2S — CID 108727347

IUPAC2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3c(-c4ccccc4)c(-c4ccccc4)nn(C)c3=O)cc2)cs1
InChIInChI=1S/C28H22N4O2S/c1-18-29-23(17-35-18)19-13-15-22(16-14-19)30-27(33)25-24(20-9-5-3-6-10-20)26(31-32(2)28(25)34)21-11-7-4-8-12-21/h3-17H,1-2H3,(H,30,33)
InChIKeyBGHIUPVFVDRGRI-UHFFFAOYSA-N
MW478.58 g/mol
LogP5.80
Rot. Bonds5

About 2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide

2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108727347) has the molecular formula C28H22N4O2S and a molecular weight of 478.58 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108727347
Molecular FormulaC28H22N4O2S
Molecular Weight478.58 g/mol
Exact Mass478.15
IUPAC Name2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3c(-c4ccccc4)c(-c4ccccc4)nn(C)c3=O)cc2)cs1
InChIInChI=1S/C28H22N4O2S/c1-18-29-23(17-35-18)19-13-15-22(16-14-19)30-27(33)25-24(20-9-5-3-6-10-20)26(31-32(2)28(25)34)21-11-7-4-8-12-21/h3-17H,1-2H3,(H,30,33)
InChIKeyBGHIUPVFVDRGRI-UHFFFAOYSA-N
XLogP5.80
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.58
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790558
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 16957852
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24532559
N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790637
methyl 4-methyl-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 16876725
2-methyl-N-(5-methyl-2-pyridinyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803387
2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
CID 108790559
ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
CID 108803402
3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid
CID 108790658
2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803336
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of 2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 108727347) is 2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide is Cc1nc(-c2ccc(NC(=O)c3c(-c4ccccc4)c(-c4ccccc4)nn(C)c3=O)cc2)cs1.
What is the InChIKey of 2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is BGHIUPVFVDRGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2S/c1-18-29-23(17-35-18)19-13-15-22(16-14-19)30-27(33)25-24(20-9-5-3-6-10-20)26(31-32(2)28(25)34)21-11-7-4-8-12-21/h3-17H,1-2H3,(H,30,33).
What are the key properties of 2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 478.58 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108727347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).