ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C16H20N4O6S2 — CID 56762328

IUPACethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C2=NN(C3CCS(=O)(=O)C3)C(=O)CC2)n1
InChIInChI=1S/C16H20N4O6S2/c1-2-26-14(22)7-10-8-27-16(17-10)18-15(23)12-3-4-13(21)20(19-12)11-5-6-28(24,25)9-11/h8,11H,2-7,9H2,1H3,(H,17,18,23)
InChIKeyNUPPHRCVCSSZBS-UHFFFAOYSA-N
MW428.49 g/mol
LogP0.35
Rot. Bonds6

About ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 56762328) has the molecular formula C16H20N4O6S2 and a molecular weight of 428.49 g/mol. Its IUPAC name is ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID56762328
Molecular FormulaC16H20N4O6S2
Molecular Weight428.49 g/mol
Exact Mass428.08
IUPAC Nameethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C2=NN(C3CCS(=O)(=O)C3)C(=O)CC2)n1
InChIInChI=1S/C16H20N4O6S2/c1-2-26-14(22)7-10-8-27-16(17-10)18-15(23)12-3-4-13(21)20(19-12)11-5-6-28(24,25)9-11/h8,11H,2-7,9H2,1H3,(H,17,18,23)
InChIKeyNUPPHRCVCSSZBS-UHFFFAOYSA-N
XLogP0.35
TPSA135.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 40952846
1-(1,1-dioxothiolan-3-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17442505
N-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17420346
1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-N-[(2S)-pentan-2-yl]-4,5-dihydropyridazine-3-carboxamide
CID 30256924
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 8778813
N-(4-butylphenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17394957
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 97161791
1-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25391678
ethyl 2-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575211
1-(1,1-dioxothiolan-3-yl)-6-oxo-N-prop-2-ynyl-4,5-dihydropyridazine-3-carboxamide
CID 47106876
1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
CID 94104187
1-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30282687

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 56762328) is ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)C2=NN(C3CCS(=O)(=O)C3)C(=O)CC2)n1.
What is the InChIKey of ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is NUPPHRCVCSSZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O6S2/c1-2-26-14(22)7-10-8-27-16(17-10)18-15(23)12-3-4-13(21)20(19-12)11-5-6-28(24,25)9-11/h8,11H,2-7,9H2,1H3,(H,17,18,23).
What are the key properties of ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 428.49 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 56762328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).