3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide

C19H19N3O4S — CID 35182220

IUPAC3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4S/c1-11-5-7-12(8-6-11)17-20-19(27-22-17)21-18(23)13-9-14(24-2)16(26-4)15(10-13)25-3/h5-10H,1-4H3,(H,20,21,22,23)
InChIKeyIUUNAQZPBZVVDM-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.79
Rot. Bonds6

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

3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 35182220) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID35182220
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4S/c1-11-5-7-12(8-6-11)17-20-19(27-22-17)21-18(23)13-9-14(24-2)16(26-4)15(10-13)25-3/h5-10H,1-4H3,(H,20,21,22,23)
InChIKeyIUUNAQZPBZVVDM-UHFFFAOYSA-N
XLogP3.79
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 17012143
3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 53298075
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
4-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 17013946
3,4,5-trimethoxy-N-[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
CID 22517783
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345269
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
3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345237
N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
CID 122150828
3,4,5-trimethoxy-N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135400173
N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 999954

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide (CID 35182220) is 3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide is COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is IUUNAQZPBZVVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-11-5-7-12(8-6-11)17-20-19(27-22-17)21-18(23)13-9-14(24-2)16(26-4)15(10-13)25-3/h5-10H,1-4H3,(H,20,21,22,23).
What are the key properties of 3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 385.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 35182220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).