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

C18H17N3O3S — CID 1086848

IUPACN-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccc(Cc2nnc(NC(=O)c3ccccc3)s2)cc1OC
InChIInChI=1S/C18H17N3O3S/c1-23-14-9-8-12(10-15(14)24-2)11-16-20-21-18(25-16)19-17(22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyXJOZMIZCKJZGIB-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.40
Rot. Bonds6

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

N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1086848) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1086848
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccc(Cc2nnc(NC(=O)c3ccccc3)s2)cc1OC
InChIInChI=1S/C18H17N3O3S/c1-23-14-9-8-12(10-15(14)24-2)11-16-20-21-18(25-16)19-17(22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyXJOZMIZCKJZGIB-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

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Related Compounds

N-[5-(4-hydroxy-3-methoxyphenyl)-1,3,4-thiadiazole-2-yl]octanamide
CID 136239329
N-[5-(4-hydroxy-3-methoxyphenyl)-1,3,4-thiadiazole-2-yl] nonanamide
CID 136244478
N-[5-(4-hydroxy-3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]heptanamide
CID 136246548
3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 777611
(E)-3-(3,4-Dimethoxy-phenyl)-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-acrylamide
CID 729841
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1094111
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 2162155
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 3148009
N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 3459285
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 1086848) is N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide is COc1ccc(Cc2nnc(NC(=O)c3ccccc3)s2)cc1OC.
What is the InChIKey of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is XJOZMIZCKJZGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-23-14-9-8-12(10-15(14)24-2)11-16-20-21-18(25-16)19-17(22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21,22).
What are the key properties of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide 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-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1086848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).