N-(5-phenyl-3H-thiadiazol-2-yl)benzamide

C15H13N3OS — CID 21326700

IUPACN-(5-phenyl-3H-thiadiazol-2-yl)benzamide
SMILESO=C(NN1NC=C(c2ccccc2)S1)c1ccccc1
InChIInChI=1S/C15H13N3OS/c19-15(13-9-5-2-6-10-13)17-18-16-11-14(20-18)12-7-3-1-4-8-12/h1-11,16H,(H,17,19)
InChIKeyUQJCEFYCANQCIT-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.80
Rot. Bonds3

About N-(5-phenyl-3H-thiadiazol-2-yl)benzamide

N-(5-phenyl-3H-thiadiazol-2-yl)benzamide (PubChem CID 21326700) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(5-phenyl-3H-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-phenyl-3H-thiadiazol-2-yl)benzamide
PubChem CID21326700
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(5-phenyl-3H-thiadiazol-2-yl)benzamide
SMILESO=C(NN1NC=C(c2ccccc2)S1)c1ccccc1
InChIInChI=1S/C15H13N3OS/c19-15(13-9-5-2-6-10-13)17-18-16-11-14(20-18)12-7-3-1-4-8-12/h1-11,16H,(H,17,19)
InChIKeyUQJCEFYCANQCIT-UHFFFAOYSA-N
XLogP2.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-3H-thiadiazol-2-yl)benzamide?
The IUPAC name of N-(5-phenyl-3H-thiadiazol-2-yl)benzamide (CID 21326700) is N-(5-phenyl-3H-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-(5-phenyl-3H-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-(5-phenyl-3H-thiadiazol-2-yl)benzamide is O=C(NN1NC=C(c2ccccc2)S1)c1ccccc1.
What is the InChIKey of N-(5-phenyl-3H-thiadiazol-2-yl)benzamide?
The InChIKey is UQJCEFYCANQCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-15(13-9-5-2-6-10-13)17-18-16-11-14(20-18)12-7-3-1-4-8-12/h1-11,16H,(H,17,19).
What are the key properties of N-(5-phenyl-3H-thiadiazol-2-yl)benzamide?
N-(5-phenyl-3H-thiadiazol-2-yl)benzamide has a molecular weight of 283.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-3H-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 21326700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).