N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide

C19H22N4O5S — CID 53136379

IUPACN-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2ncc3c(c2=O)N(C(C)C)C(=O)CS3)c1
InChIInChI=1S/C19H22N4O5S/c1-11(2)23-17(25)10-29-15-8-20-22(19(26)18(15)23)9-16(24)21-13-7-12(27-3)5-6-14(13)28-4/h5-8,11H,9-10H2,1-4H3,(H,21,24)
InChIKeyWYUAYBCLQHTGBK-UHFFFAOYSA-N
MW418.48 g/mol
LogP1.75
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (PubChem CID 53136379) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
PubChem CID53136379
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2ncc3c(c2=O)N(C(C)C)C(=O)CS3)c1
InChIInChI=1S/C19H22N4O5S/c1-11(2)23-17(25)10-29-15-8-20-22(19(26)18(15)23)9-16(24)21-13-7-12(27-3)5-6-14(13)28-4/h5-8,11H,9-10H2,1-4H3,(H,21,24)
InChIKeyWYUAYBCLQHTGBK-UHFFFAOYSA-N
XLogP1.75
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)-N-(2-methylphenyl)acetamide
CID 53136385
2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53136311
N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
CID 53136499
N-(2,5-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833532
N-(2,5-dimethoxyphenyl)-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 16846957
N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136288
N-(2,5-dimethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
CID 27441053
2-(4-aminopyrazol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 43445334
N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 39353861
N-(2,5-dimethoxyphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847072
N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 1458003
N-(2,6-dimethylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
CID 53136512

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (CID 53136379) is N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is COc1ccc(OC)c(NC(=O)Cn2ncc3c(c2=O)N(C(C)C)C(=O)CS3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The InChIKey is WYUAYBCLQHTGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-11(2)23-17(25)10-29-15-8-20-22(19(26)18(15)23)9-16(24)21-13-7-12(27-3)5-6-14(13)28-4/h5-8,11H,9-10H2,1-4H3,(H,21,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide has a molecular weight of 418.48 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is sourced from PubChem (CID 53136379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).