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

C22H25N5O5S — CID 108809359

IUPAC4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)N(C)Cc2csc(CN3CCOCC3)n2)c(O)cc1=O
InChIInChI=1S/C22H25N5O5S/c1-25(12-15-14-33-19(23-15)13-26-7-9-32-10-8-26)22(30)21-17(28)11-20(29)27(24-21)16-5-3-4-6-18(16)31-2/h3-6,11,14,28H,7-10,12-13H2,1-2H3
InChIKeyJXBWYDMMFGAPBA-UHFFFAOYSA-N
MW471.54 g/mol
LogP1.51
Rot. Bonds7

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

4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 108809359) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide
PubChem CID108809359
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC Name4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)N(C)Cc2csc(CN3CCOCC3)n2)c(O)cc1=O
InChIInChI=1S/C22H25N5O5S/c1-25(12-15-14-33-19(23-15)13-26-7-9-32-10-8-26)22(30)21-17(28)11-20(29)27(24-21)16-5-3-4-6-18(16)31-2/h3-6,11,14,28H,7-10,12-13H2,1-2H3
InChIKeyJXBWYDMMFGAPBA-UHFFFAOYSA-N
XLogP1.51
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768850
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108809288
3-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768870
2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108746677
2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768844
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108746674
N,2,3-trimethyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]quinoxaline-6-carboxamide
CID 108768975
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798592
2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 108768896
2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 108768886
2-chloroethyl N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]carbamate
CID 108746686
(Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide
CID 108768919

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide (CID 108809359) is 4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide is COc1ccccc1-n1nc(C(=O)N(C)Cc2csc(CN3CCOCC3)n2)c(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is JXBWYDMMFGAPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-25(12-15-14-33-19(23-15)13-26-7-9-32-10-8-26)22(30)21-17(28)11-20(29)27(24-21)16-5-3-4-6-18(16)31-2/h3-6,11,14,28H,7-10,12-13H2,1-2H3.
What are the key properties of 4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide?
4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108809359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).