N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C13H12N4O3S — CID 72935863

IUPACN-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CN2C(=O)CSc3ccccc32)no1
InChIInChI=1S/C13H12N4O3S/c1-14-12(19)13-15-10(16-20-13)6-17-8-4-2-3-5-9(8)21-7-11(17)18/h2-5H,6-7H2,1H3,(H,14,19)
InChIKeyNYOPPJPIQMEITI-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.07
Rot. Bonds3

About N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 72935863) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID72935863
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CN2C(=O)CSc3ccccc32)no1
InChIInChI=1S/C13H12N4O3S/c1-14-12(19)13-15-10(16-20-13)6-17-8-4-2-3-5-9(8)21-7-11(17)18/h2-5H,6-7H2,1H3,(H,14,19)
InChIKeyNYOPPJPIQMEITI-UHFFFAOYSA-N
XLogP1.07
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 72935863) is N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is CNC(=O)c1nc(CN2C(=O)CSc3ccccc32)no1.
What is the InChIKey of N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is NYOPPJPIQMEITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-14-12(19)13-15-10(16-20-13)6-17-8-4-2-3-5-9(8)21-7-11(17)18/h2-5H,6-7H2,1H3,(H,14,19).
What are the key properties of N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 72935863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).