ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate

C20H20N4O4S — CID 16839433

IUPACethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1sc(C)nc1C
InChIInChI=1S/C20H20N4O4S/c1-5-28-20(27)17-14(22-19(26)18-12(3)21-13(4)29-18)10-16(25)24(23-17)15-9-7-6-8-11(15)2/h6-10H,5H2,1-4H3,(H,22,26)
InChIKeyXMHFAHVMFYOOEW-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.04
Rot. Bonds5

About ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate

ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate (PubChem CID 16839433) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate
PubChem CID16839433
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Nameethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1sc(C)nc1C
InChIInChI=1S/C20H20N4O4S/c1-5-28-20(27)17-14(22-19(26)18-12(3)21-13(4)29-18)10-16(25)24(23-17)15-9-7-6-8-11(15)2/h6-10H,5H2,1-4H3,(H,22,26)
InChIKeyXMHFAHVMFYOOEW-UHFFFAOYSA-N
XLogP3.04
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate with MolForge

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Related Compounds

ethyl 4-[(2-ethoxybenzoyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 16802232
ethyl 4-[(3-fluorobenzoyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 16839357
ethyl 4-[[2-(4-fluorophenyl)acetyl]amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 16839406
ethyl 1-(2-methylphenyl)-6-oxo-4-(2-phenylbutanoylamino)pyridazine-3-carboxylate
CID 16839388
ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate
CID 43993192
ethyl 4-[2-(2-methylanilino)-2-oxoethoxy]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 7588551
2-[(3-ethoxycarbonyl-6-oxo-1-phenylpyridazin-4-yl)carbamoyl]benzoic acid
CID 16802214
ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 18579804
ethyl 4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 18579766
ethyl 1-(2-methylphenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate
CID 7588497
ethyl 4-[2-(2-methoxy-5-methylanilino)-2-oxoethoxy]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 18579878
ethyl 4-[(4-iodobenzoyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate
CID 16839322

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate?
The IUPAC name of ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate (CID 16839433) is ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1sc(C)nc1C.
What is the InChIKey of ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate?
The InChIKey is XMHFAHVMFYOOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-5-28-20(27)17-14(22-19(26)18-12(3)21-13(4)29-18)10-16(25)24(23-17)15-9-7-6-8-11(15)2/h6-10H,5H2,1-4H3,(H,22,26).
What are the key properties of ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate?
ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate has a molecular weight of 412.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 16839433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).