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

C19H16N6O2S — CID 20941145

IUPACN-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
SMILESCOc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccccc3)n2)c1C
InChIInChI=1S/C19H16N6O2S/c1-12-16(22-24-25(12)14-10-6-7-11-15(14)27-2)17-20-19(28-23-17)21-18(26)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,20,21,23,26)
InChIKeyWHEPOQYFZXYZJA-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.36
Rot. Bonds5

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

N-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 20941145) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID20941145
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC NameN-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
SMILESCOc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccccc3)n2)c1C
InChIInChI=1S/C19H16N6O2S/c1-12-16(22-24-25(12)14-10-6-7-11-15(14)27-2)17-20-19(28-23-17)21-18(26)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,20,21,23,26)
InChIKeyWHEPOQYFZXYZJA-UHFFFAOYSA-N
XLogP3.36
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[1-(2-ethoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 20941479
N-[3-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide
CID 20941339
4-chloro-N-[3-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 22424491
4-methoxy-N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]benzamide
CID 20941333
N-[3-[1-(3,4-dimethoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 20941234
N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide
CID 20941359
3-methyl-N-[3-[5-methyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 20941528
N-[3-[1-(3,5-dimethoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-3,5-dimethoxybenzamide
CID 20941308
N-[3-[1-(2,3-dimethylphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-3,4-dimethylbenzamide
CID 20941393
N-[3-[1-(3,4-dimethoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
CID 20941442
4-chloro-N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 20941189
3-chloro-N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]benzamide
CID 20941197

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of N-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide (CID 20941145) is N-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for N-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for N-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide is COc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccccc3)n2)c1C.
What is the InChIKey of N-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is WHEPOQYFZXYZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-12-16(22-24-25(12)14-10-6-7-11-15(14)27-2)17-20-19(28-23-17)21-18(26)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,20,21,23,26).
What are the key properties of N-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide?
N-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 392.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 20941145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).