1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C20H19N5O4S2 — CID 42907323

IUPAC1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1
InChIInChI=1S/C20H19N5O4S2/c26-18-6-5-16(23-25(18)15-7-10-31(28,29)12-15)19(27)21-14-3-1-13(2-4-14)17-11-24-8-9-30-20(24)22-17/h1-4,8-9,11,15H,5-7,10,12H2,(H,21,27)
InChIKeyMTJFOMPFAIYTBR-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.17
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 42907323) has the molecular formula C20H19N5O4S2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID42907323
Molecular FormulaC20H19N5O4S2
Molecular Weight457.54 g/mol
Exact Mass457.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1
InChIInChI=1S/C20H19N5O4S2/c26-18-6-5-16(23-25(18)15-7-10-31(28,29)12-15)19(27)21-14-3-1-13(2-4-14)17-11-24-8-9-30-20(24)22-17/h1-4,8-9,11,15H,5-7,10,12H2,(H,21,27)
InChIKeyMTJFOMPFAIYTBR-UHFFFAOYSA-N
XLogP2.17
TPSA113.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide with MolForge

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Related Compounds

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-(4-butylphenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17394957
1-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-iodophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25479676
N-(3-chloro-4-fluorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25498808
N-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17420346
N-[4-(dimethylsulfamoyl)phenyl]-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42997131
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42997118
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42907329
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(4-ethoxyphenoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30278526
N-(5-chloro-2-fluorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25439081
1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-N-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 8762491
1-(1,1-dioxothiolan-3-yl)-N-(6-methoxy-3-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4879009

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 42907323) is 1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is MTJFOMPFAIYTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S2/c26-18-6-5-16(23-25(18)15-7-10-31(28,29)12-15)19(27)21-14-3-1-13(2-4-14)17-11-24-8-9-30-20(24)22-17/h1-4,8-9,11,15H,5-7,10,12H2,(H,21,27).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 42907323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).