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

C9H7N3O2S — CID 4553009

IUPACN-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1nc(=O)[nH]s1)c1ccccc1
InChIInChI=1S/C9H7N3O2S/c13-7(6-4-2-1-3-5-6)10-9-11-8(14)12-15-9/h1-5H,(H2,10,11,12,13,14)
InChIKeyKDLAEQAKUHJGTN-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.08
Rot. Bonds2

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

N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 4553009) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID4553009
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC NameN-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1nc(=O)[nH]s1)c1ccccc1
InChIInChI=1S/C9H7N3O2S/c13-7(6-4-2-1-3-5-6)10-9-11-8(14)12-15-9/h1-5H,(H2,10,11,12,13,14)
InChIKeyKDLAEQAKUHJGTN-UHFFFAOYSA-N
XLogP1.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide (CID 4553009) is N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide is O=C(Nc1nc(=O)[nH]s1)c1ccccc1.
What is the InChIKey of N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is KDLAEQAKUHJGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-7(6-4-2-1-3-5-6)10-9-11-8(14)12-15-9/h1-5H,(H2,10,11,12,13,14).
What are the key properties of N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 221.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 4553009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).