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

C18H17N3O3S — CID 17012143

IUPACN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
SMILESCOc1ccc(-c2nsc(NC(=O)c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C18H17N3O3S/c1-11-4-6-12(7-5-11)17(22)20-18-19-16(21-25-18)13-8-9-14(23-2)15(10-13)24-3/h4-10H,1-3H3,(H,19,20,21,22)
InChIKeyTUKRXXKNGYOGBZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.78
Rot. Bonds5

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

N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide (PubChem CID 17012143) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
PubChem CID17012143
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
SMILESCOc1ccc(-c2nsc(NC(=O)c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C18H17N3O3S/c1-11-4-6-12(7-5-11)17(22)20-18-19-16(21-25-18)13-8-9-14(23-2)15(10-13)24-3/h4-10H,1-3H3,(H,19,20,21,22)
InChIKeyTUKRXXKNGYOGBZ-UHFFFAOYSA-N
XLogP3.78
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 17013946
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35182220
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345269
tris(N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-propan-2-yloxybenzamide);1,4-dioxane
CID 175653248
N-[3-[1-(3,4-dimethoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 20941234
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 17013953
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 17013950
(2S)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)propanamide
CID 35180744
N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
CID 122150828
3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345237

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide (CID 17012143) is N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide is COc1ccc(-c2nsc(NC(=O)c3ccc(C)cc3)n2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide?
The InChIKey is TUKRXXKNGYOGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-4-6-12(7-5-11)17(22)20-18-19-16(21-25-18)13-8-9-14(23-2)15(10-13)24-3/h4-10H,1-3H3,(H,19,20,21,22).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide?
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide has a molecular weight of 355.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide is sourced from PubChem (CID 17012143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).