2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C18H20N4O6S — CID 53136311

IUPAC2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2ncc3c(c2=O)N(C)C(=O)CS3)cc(OC)c1OC
InChIInChI=1S/C18H20N4O6S/c1-21-15(24)9-29-13-7-19-22(18(25)16(13)21)8-14(23)20-10-5-11(26-2)17(28-4)12(6-10)27-3/h5-7H,8-9H2,1-4H3,(H,20,23)
InChIKeyPSDRASKEJGCPEX-UHFFFAOYSA-N
MW420.45 g/mol
LogP0.98
Rot. Bonds6

About 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 53136311) has the molecular formula C18H20N4O6S and a molecular weight of 420.45 g/mol. Its IUPAC name is 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID53136311
Molecular FormulaC18H20N4O6S
Molecular Weight420.45 g/mol
Exact Mass420.11
IUPAC Name2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2ncc3c(c2=O)N(C)C(=O)CS3)cc(OC)c1OC
InChIInChI=1S/C18H20N4O6S/c1-21-15(24)9-29-13-7-19-22(18(25)16(13)21)8-14(23)20-10-5-11(26-2)17(28-4)12(6-10)27-3/h5-7H,8-9H2,1-4H3,(H,20,23)
InChIKeyPSDRASKEJGCPEX-UHFFFAOYSA-N
XLogP0.98
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136288
N-(3-bromophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136292
N-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136261
N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136377
N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136379
N-(4-bromophenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136393
N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
CID 53136499
2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 53136449
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 122278568
N-(3,4-difluorophenyl)-2-(3,5-dioxo-4-prop-2-enylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136569
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)-N-(2-methylphenyl)acetamide
CID 53136385

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 53136311) is 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2ncc3c(c2=O)N(C)C(=O)CS3)cc(OC)c1OC.
What is the InChIKey of 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is PSDRASKEJGCPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6S/c1-21-15(24)9-29-13-7-19-22(18(25)16(13)21)8-14(23)20-10-5-11(26-2)17(28-4)12(6-10)27-3/h5-7H,8-9H2,1-4H3,(H,20,23).
What are the key properties of 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 420.45 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 53136311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).