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

C15H18N6O4S — CID 46962262

IUPAC5-(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
SMILESCCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cc(C)on3)=C2)c1C
InChIInChI=1S/C15H18N6O4S/c1-5-21-10(3)11(8-16-21)12-7-13(20(4)26(23,24)19-12)15(22)17-14-6-9(2)25-18-14/h6-8H,5H2,1-4H3,(H,17,18,22)
InChIKeyJVZVNIPUXAMQEB-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.01
Rot. Bonds4

About 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

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 (PubChem CID 46962262) has the molecular formula C15H18N6O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID46962262
Molecular FormulaC15H18N6O4S
Molecular Weight378.41 g/mol
Exact Mass378.11
IUPAC Name5-(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
SMILESCCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cc(C)on3)=C2)c1C
InChIInChI=1S/C15H18N6O4S/c1-5-21-10(3)11(8-16-21)12-7-13(20(4)26(23,24)19-12)15(22)17-14-6-9(2)25-18-14/h6-8H,5H2,1-4H3,(H,17,18,22)
InChIKeyJVZVNIPUXAMQEB-UHFFFAOYSA-N
XLogP1.01
TPSA122.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
1-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 844731
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)imidazole-4-carboxamide
CID 110865549
N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 2953834
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
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62958428
2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 970322
5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 46968641
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912739
6-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cc(C)on3)=C2)c1C.
What is the InChIKey of 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?
The InChIKey is JVZVNIPUXAMQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O4S/c1-5-21-10(3)11(8-16-21)12-7-13(20(4)26(23,24)19-12)15(22)17-14-6-9(2)25-18-14/h6-8H,5H2,1-4H3,(H,17,18,22).
What are the key properties of 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?
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 has a molecular weight of 378.41 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46962262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).