N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide

C17H19N7O3S2 — CID 122322136

IUPACN-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)cnn3)cc2)s1
InChIInChI=1S/C17H19N7O3S2/c1-11(25)20-17-18-10-16(28-17)29(26,27)23-13-6-4-12(5-7-13)21-15-8-14(24(2)3)9-19-22-15/h4-10,23H,1-3H3,(H,21,22)(H,18,20,25)
InChIKeyVMXRJIHFSYFIOH-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.50
Rot. Bonds7

About N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 122322136) has the molecular formula C17H19N7O3S2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID122322136
Molecular FormulaC17H19N7O3S2
Molecular Weight433.52 g/mol
Exact Mass433.10
IUPAC NameN-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)cnn3)cc2)s1
InChIInChI=1S/C17H19N7O3S2/c1-11(25)20-17-18-10-16(28-17)29(26,27)23-13-6-4-12(5-7-13)21-15-8-14(24(2)3)9-19-22-15/h4-10,23H,1-3H3,(H,21,22)(H,18,20,25)
InChIKeyVMXRJIHFSYFIOH-UHFFFAOYSA-N
XLogP2.50
TPSA129.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122291516
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide
CID 122321888
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 122321878
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-nitrobenzenesulfonamide
CID 122322166
N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122297526
1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea
CID 122321847
N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 119101378
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-4-carboxamide
CID 122322071
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122322126
1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321903
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide
CID 122321800
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide
CID 122321830

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide (CID 122322136) is N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)cnn3)cc2)s1.
What is the InChIKey of N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VMXRJIHFSYFIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3S2/c1-11(25)20-17-18-10-16(28-17)29(26,27)23-13-6-4-12(5-7-13)21-15-8-14(24(2)3)9-19-22-15/h4-10,23H,1-3H3,(H,21,22)(H,18,20,25).
What are the key properties of N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 433.52 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 122322136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).