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

C18H17N3O2S — CID 18189580

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-12-14-7-9-15(10-8-14)17(22)19-18-21-20-16(24-18)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKeyXLXNQJVGPMGNJJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.53
Rot. Bonds6

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

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide (PubChem CID 18189580) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide
PubChem CID18189580
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-12-14-7-9-15(10-8-14)17(22)19-18-21-20-16(24-18)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKeyXLXNQJVGPMGNJJ-UHFFFAOYSA-N
XLogP3.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
CID 1303655
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119566
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 16547310
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878
3-benzamido-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide;hydrochloride
CID 163329002
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 30581833
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide
CID 68739431
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
4-(methoxymethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 16557264
3,5-dimethoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1077808

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide (CID 18189580) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide?
The InChIKey is XLXNQJVGPMGNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-12-14-7-9-15(10-8-14)17(22)19-18-21-20-16(24-18)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,21,22).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide is sourced from PubChem (CID 18189580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).