N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide

C23H19N3OS — CID 71946256

IUPACN-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)cc1
InChIInChI=1S/C23H19N3OS/c1-16-12-14-19(15-13-16)21(27)24-23-26-25-22(28-23)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,24,26,27)
InChIKeyLNCOSIOWOFWCQH-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.28
Rot. Bonds5

About N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide

N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide (PubChem CID 71946256) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide
PubChem CID71946256
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC NameN-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)cc1
InChIInChI=1S/C23H19N3OS/c1-16-12-14-19(15-13-16)21(27)24-23-26-25-22(28-23)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,24,26,27)
InChIKeyLNCOSIOWOFWCQH-UHFFFAOYSA-N
XLogP5.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 46975630
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946235
4-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4680904
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-[5-(benzhydrylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 100509862
4-chloro-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1327524
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 78820801
N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 2963228
N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide
CID 95738669
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 93242371
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816

Frequently Asked Questions

What is the IUPAC name of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide (CID 71946256) is N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)cc1.
What is the InChIKey of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide?
The InChIKey is LNCOSIOWOFWCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-16-12-14-19(15-13-16)21(27)24-23-26-25-22(28-23)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,24,26,27).
What are the key properties of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide?
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide has a molecular weight of 385.49 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 71946256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).