N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide

C18H19N5O4S — CID 108809288

IUPACN-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)Nc2nc(CN(C)C)cs2)c(O)cc1=O
InChIInChI=1S/C18H19N5O4S/c1-22(2)9-11-10-28-18(19-11)20-17(26)16-13(24)8-15(25)23(21-16)12-6-4-5-7-14(12)27-3/h4-8,10,24H,9H2,1-3H3,(H,19,20,26)
InChIKeyYQFVNLNZMVRKNH-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.72
Rot. Bonds6

About N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide

N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 108809288) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID108809288
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC NameN-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)Nc2nc(CN(C)C)cs2)c(O)cc1=O
InChIInChI=1S/C18H19N5O4S/c1-22(2)9-11-10-28-18(19-11)20-17(26)16-13(24)8-15(25)23(21-16)12-6-4-5-7-14(12)27-3/h4-8,10,24H,9H2,1-3H3,(H,19,20,26)
InChIKeyYQFVNLNZMVRKNH-UHFFFAOYSA-N
XLogP1.72
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798592
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
N-(4-acetamidophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785176
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 108798517
N-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798453
N-(3,4-dichlorophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785180
N-(2-acetylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798578
4-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798433
3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 108785229
4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 108809302
4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide
CID 108809359
N-[4-(diethylamino)butyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785323

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide (CID 108809288) is N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide is COc1ccccc1-n1nc(C(=O)Nc2nc(CN(C)C)cs2)c(O)cc1=O.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is YQFVNLNZMVRKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-22(2)9-11-10-28-18(19-11)20-17(26)16-13(24)8-15(25)23(21-16)12-6-4-5-7-14(12)27-3/h4-8,10,24H,9H2,1-3H3,(H,19,20,26).
What are the key properties of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108809288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).