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

C15H11N3OS — CID 2241548

IUPACN-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1
InChIInChI=1S/C15H11N3OS/c19-14(12-9-5-2-6-10-12)17-15-16-13(18-20-15)11-7-3-1-4-8-11/h1-10H,(H,16,17,18,19)
InChIKeyAYSLYXJUYHXKHV-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.46
Rot. Bonds3

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

N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 2241548) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID2241548
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1
InChIInChI=1S/C15H11N3OS/c19-14(12-9-5-2-6-10-12)17-15-16-13(18-20-15)11-7-3-1-4-8-11/h1-10H,(H,16,17,18,19)
InChIKeyAYSLYXJUYHXKHV-UHFFFAOYSA-N
XLogP3.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (CID 2241548) is N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is O=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1.
What is the InChIKey of N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is AYSLYXJUYHXKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c19-14(12-9-5-2-6-10-12)17-15-16-13(18-20-15)11-7-3-1-4-8-11/h1-10H,(H,16,17,18,19).
What are the key properties of N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 281.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 2241548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).