5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C14H16N6O4S — CID 95799158

IUPAC5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=CC(c3cn(C)nc3C)=NS(=O)(=O)N2C)no1
InChIInChI=1S/C14H16N6O4S/c1-8-5-13(17-24-8)15-14(21)12-6-11(18-25(22,23)20(12)4)10-7-19(3)16-9(10)2/h5-7H,1-4H3,(H,15,17,21)
InChIKeyBXGLTRKGIZIJNJ-UHFFFAOYSA-N
MW364.39 g/mol
LogP0.53
Rot. Bonds3

About 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 95799158) has the molecular formula C14H16N6O4S and a molecular weight of 364.39 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID95799158
Molecular FormulaC14H16N6O4S
Molecular Weight364.39 g/mol
Exact Mass364.10
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=CC(c3cn(C)nc3C)=NS(=O)(=O)N2C)no1
InChIInChI=1S/C14H16N6O4S/c1-8-5-13(17-24-8)15-14(21)12-6-11(18-25(22,23)20(12)4)10-7-19(3)16-9(10)2/h5-7H,1-4H3,(H,15,17,21)
InChIKeyBXGLTRKGIZIJNJ-UHFFFAOYSA-N
XLogP0.53
TPSA122.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 46962262
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)imidazole-4-carboxamide
CID 110865549
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 4768902
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 110692041
(3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 95797822
2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 110865581
6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2984752
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54712209
1-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 844731
3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 115646253
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 95799158) is 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is Cc1cc(NC(=O)C2=CC(c3cn(C)nc3C)=NS(=O)(=O)N2C)no1.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is BXGLTRKGIZIJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O4S/c1-8-5-13(17-24-8)15-14(21)12-6-11(18-25(22,23)20(12)4)10-7-19(3)16-9(10)2/h5-7H,1-4H3,(H,15,17,21).
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 364.39 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 95799158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).