N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide

C15H12N4OS — CID 82176843

IUPACN-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESNc1ccc(-c2nnc(NC(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C15H12N4OS/c16-12-8-6-11(7-9-12)14-18-19-15(21-14)17-13(20)10-4-2-1-3-5-10/h1-9H,16H2,(H,17,19,20)
InChIKeyJYADYBNPUBJNHE-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.04
Rot. Bonds3

About N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide

N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 82176843) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID82176843
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC NameN-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESNc1ccc(-c2nnc(NC(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C15H12N4OS/c16-12-8-6-11(7-9-12)14-18-19-15(21-14)17-13(20)10-4-2-1-3-5-10/h1-9H,16H2,(H,17,19,20)
InChIKeyJYADYBNPUBJNHE-UHFFFAOYSA-N
XLogP3.04
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176851
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide
CID 56548861
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 82176853
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4222808
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
CID 19256575
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide
CID 82176848
6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 27991303
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991331
3-methyl-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45020577
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 82176854

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 82176843) is N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide is Nc1ccc(-c2nnc(NC(=O)c3ccccc3)s2)cc1.
What is the InChIKey of N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is JYADYBNPUBJNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-12-8-6-11(7-9-12)14-18-19-15(21-14)17-13(20)10-4-2-1-3-5-10/h1-9H,16H2,(H,17,19,20).
What are the key properties of N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 296.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 82176843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).