4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide

C11H11N3O2S — CID 1486937

IUPAC4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(=O)n(C)s2)cc1
InChIInChI=1S/C11H11N3O2S/c1-7-3-5-8(6-4-7)9(15)12-10-13-11(16)14(2)17-10/h3-6H,1-2H3,(H,12,13,15,16)
InChIKeyANBHGBQJYFEVSD-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.40
Rot. Bonds2

About 4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide

4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 1486937) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID1486937
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(=O)n(C)s2)cc1
InChIInChI=1S/C11H11N3O2S/c1-7-3-5-8(6-4-7)9(15)12-10-13-11(16)14(2)17-10/h3-6H,1-2H3,(H,12,13,15,16)
InChIKeyANBHGBQJYFEVSD-UHFFFAOYSA-N
XLogP1.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide (CID 1486937) is 4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2nc(=O)n(C)s2)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is ANBHGBQJYFEVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-3-5-8(6-4-7)9(15)12-10-13-11(16)14(2)17-10/h3-6H,1-2H3,(H,12,13,15,16).
What are the key properties of 4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 249.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 1486937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).