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

C19H22N4O3S — CID 53136377

IUPACN-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc3c(c2=O)N(C(C)C)C(=O)CS3)cc1C
InChIInChI=1S/C19H22N4O3S/c1-11(2)23-17(25)10-27-15-8-20-22(19(26)18(15)23)9-16(24)21-14-6-5-12(3)13(4)7-14/h5-8,11H,9-10H2,1-4H3,(H,21,24)
InChIKeyNEBUTWHRCYSVOH-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.35
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (PubChem CID 53136377) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
PubChem CID53136377
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc3c(c2=O)N(C(C)C)C(=O)CS3)cc1C
InChIInChI=1S/C19H22N4O3S/c1-11(2)23-17(25)10-27-15-8-20-22(19(26)18(15)23)9-16(24)21-14-6-5-12(3)13(4)7-14/h5-8,11H,9-10H2,1-4H3,(H,21,24)
InChIKeyNEBUTWHRCYSVOH-UHFFFAOYSA-N
XLogP2.35
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
CID 53136499
N-(4-bromophenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136393
2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)-N-(2-methylphenyl)acetamide
CID 53136385
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-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-(2,6-dimethylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
CID 53136512
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-difluorophenyl)-2-(3,5-dioxo-4-prop-2-enylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136569
2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide
CID 53136295
2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 53136449
N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
CID 53136523

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (CID 53136377) is N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is Cc1ccc(NC(=O)Cn2ncc3c(c2=O)N(C(C)C)C(=O)CS3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The InChIKey is NEBUTWHRCYSVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-11(2)23-17(25)10-27-15-8-20-22(19(26)18(15)23)9-16(24)21-14-6-5-12(3)13(4)7-14/h5-8,11H,9-10H2,1-4H3,(H,21,24).
What are the key properties of N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide has a molecular weight of 386.48 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is sourced from PubChem (CID 53136377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).