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

C10H9N3O2S — CID 1475545

IUPAC4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(=O)[nH]s2)cc1
InChIInChI=1S/C10H9N3O2S/c1-6-2-4-7(5-3-6)8(14)11-10-12-9(15)13-16-10/h2-5H,1H3,(H2,11,12,13,14,15)
InChIKeyPDIPGVXTKUKGCS-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.39
Rot. Bonds2

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

4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 1475545) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID1475545
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(=O)[nH]s2)cc1
InChIInChI=1S/C10H9N3O2S/c1-6-2-4-7(5-3-6)8(14)11-10-12-9(15)13-16-10/h2-5H,1H3,(H2,11,12,13,14,15)
InChIKeyPDIPGVXTKUKGCS-UHFFFAOYSA-N
XLogP1.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide (CID 1475545) is 4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2nc(=O)[nH]s2)cc1.
What is the InChIKey of 4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is PDIPGVXTKUKGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-6-2-4-7(5-3-6)8(14)11-10-12-9(15)13-16-10/h2-5H,1H3,(H2,11,12,13,14,15).
What are the key properties of 4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 235.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 1475545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).