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

C10H9N3O2S — CID 1486935

IUPACN-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
SMILESCn1sc(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C10H9N3O2S/c1-13-10(15)12-9(16-13)11-8(14)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12,14,15)
InChIKeySSBKUYCZYQBQFN-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.09
Rot. Bonds2

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

N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 1486935) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID1486935
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC NameN-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
SMILESCn1sc(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C10H9N3O2S/c1-13-10(15)12-9(16-13)11-8(14)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12,14,15)
InChIKeySSBKUYCZYQBQFN-UHFFFAOYSA-N
XLogP1.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide (CID 1486935) is N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide is Cn1sc(NC(=O)c2ccccc2)nc1=O.
What is the InChIKey of N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is SSBKUYCZYQBQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-13-10(15)12-9(16-13)11-8(14)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12,14,15).
What are the key properties of N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 235.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 1486935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).