(2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate

C17H16N4O4S — CID 9402928

IUPAC(2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESCC(=O)Nc1nc(COC(=O)C2=NN(c3ccccc3)C(=O)CC2)cs1
InChIInChI=1S/C17H16N4O4S/c1-11(22)18-17-19-12(10-26-17)9-25-16(24)14-7-8-15(23)21(20-14)13-5-3-2-4-6-13/h2-6,10H,7-9H2,1H3,(H,18,19,22)
InChIKeyTTYIQWXIFQAHOR-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.33
Rot. Bonds5

About (2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate

(2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate (PubChem CID 9402928) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is (2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Name(2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
PubChem CID9402928
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name(2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESCC(=O)Nc1nc(COC(=O)C2=NN(c3ccccc3)C(=O)CC2)cs1
InChIInChI=1S/C17H16N4O4S/c1-11(22)18-17-19-12(10-26-17)9-25-16(24)14-7-8-15(23)21(20-14)13-5-3-2-4-6-13/h2-6,10H,7-9H2,1H3,(H,18,19,22)
InChIKeyTTYIQWXIFQAHOR-UHFFFAOYSA-N
XLogP2.33
TPSA100.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 42981226
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 55355841
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 4655727
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 55355821
[2-oxo-2-(4-phenoxyanilino)ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 5176925
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 18201945
(2-acetamido-1,3-thiazol-4-yl)methyl 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35188985
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 31525747
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 55722630
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 18091594
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 55449621
[4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 18076859

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of (2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate (CID 9402928) is (2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for (2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for (2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate is CC(=O)Nc1nc(COC(=O)C2=NN(c3ccccc3)C(=O)CC2)cs1.
What is the InChIKey of (2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is TTYIQWXIFQAHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-11(22)18-17-19-12(10-26-17)9-25-16(24)14-7-8-15(23)21(20-14)13-5-3-2-4-6-13/h2-6,10H,7-9H2,1H3,(H,18,19,22).
What are the key properties of (2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
(2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 372.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-1,3-thiazol-4-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 9402928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).