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

C21H15N3OS — CID 12804212

IUPACN-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnc(-c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C21H15N3OS/c25-19(15-9-3-1-4-10-15)22-18-14-8-7-13-17(18)21-24-23-20(26-21)16-11-5-2-6-12-16/h1-14H,(H,22,25)
InChIKeyRXXCWLYVNBTIRQ-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.12
Rot. Bonds4

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

N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide (PubChem CID 12804212) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide
PubChem CID12804212
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC NameN-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnc(-c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C21H15N3OS/c25-19(15-9-3-1-4-10-15)22-18-14-8-7-13-17(18)21-24-23-20(26-21)16-11-5-2-6-12-16/h1-14H,(H,22,25)
InChIKeyRXXCWLYVNBTIRQ-UHFFFAOYSA-N
XLogP5.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4222808
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45022028
zinc N-(2-sulfanylphenyl)benzamide
CID 22756062
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 110873740
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
3-(carbamoylamino)-N-(2-phenylphenyl)benzamide
CID 78767991
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
CID 19256575
3-methyl-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45020577
3,5-difluoro-N-(2-phenylphenyl)benzamide
CID 4794052

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide (CID 12804212) is N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide is O=C(Nc1ccccc1-c1nnc(-c2ccccc2)s1)c1ccccc1.
What is the InChIKey of N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide?
The InChIKey is RXXCWLYVNBTIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS/c25-19(15-9-3-1-4-10-15)22-18-14-8-7-13-17(18)21-24-23-20(26-21)16-11-5-2-6-12-16/h1-14H,(H,22,25).
What are the key properties of N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide?
N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide has a molecular weight of 357.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 12804212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).