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

C18H17N3O3S — CID 1303655

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1
InChIInChI=1S/C18H17N3O3S/c1-23-14-9-13(10-15(11-14)24-2)17(22)19-18-21-20-16(25-18)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,19,21,22)
InChIKeySLSQCBHPELEGDV-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.40
Rot. Bonds6

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

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide (PubChem CID 1303655) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
PubChem CID1303655
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1
InChIInChI=1S/C18H17N3O3S/c1-23-14-9-13(10-15(11-14)24-2)17(22)19-18-21-20-16(25-18)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,19,21,22)
InChIKeySLSQCBHPELEGDV-UHFFFAOYSA-N
XLogP3.40
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1077808
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide
CID 18189580
3-benzamido-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide;hydrochloride
CID 163329002
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119566
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
N-[3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226238
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide
CID 17311565
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936
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-methylsulfonylbenzamide
CID 30581833

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide (CID 1303655) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide?
The InChIKey is SLSQCBHPELEGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-23-14-9-13(10-15(11-14)24-2)17(22)19-18-21-20-16(25-18)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,19,21,22).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide has a molecular weight of 355.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 1303655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).