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

C18H17N3O4S — CID 17012358

IUPACN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2nsc(NC(=O)c3ccccc3OC)n2)cc1OC
InChIInChI=1S/C18H17N3O4S/c1-23-13-7-5-4-6-12(13)17(22)20-18-19-16(21-26-18)11-8-9-14(24-2)15(10-11)25-3/h4-10H,1-3H3,(H,19,20,21,22)
InChIKeyVUNQZQHDLYPVLY-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.48
Rot. Bonds6

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

N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide (PubChem CID 17012358) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
PubChem CID17012358
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2nsc(NC(=O)c3ccccc3OC)n2)cc1OC
InChIInChI=1S/C18H17N3O4S/c1-23-13-7-5-4-6-12(13)17(22)20-18-19-16(21-26-18)11-8-9-14(24-2)15(10-11)25-3/h4-10H,1-3H3,(H,19,20,21,22)
InChIKeyVUNQZQHDLYPVLY-UHFFFAOYSA-N
XLogP3.48
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.48
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
N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
CID 122150828
4-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 17013946
(2S)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)propanamide
CID 35180744
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345269
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 35345260
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 17013953
3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35182220
pentakis(N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenylacetamide);N,N-dimethylformamide
CID 175653182
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]-2-methoxybenzamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide (CID 17012358) is N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide is COc1ccc(-c2nsc(NC(=O)c3ccccc3OC)n2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide?
The InChIKey is VUNQZQHDLYPVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-23-13-7-5-4-6-12(13)17(22)20-18-19-16(21-26-18)11-8-9-14(24-2)15(10-11)25-3/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]-2-methoxybenzamide?
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide has a molecular weight of 371.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 17012358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).