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

C19H19N3O4S — CID 17013950

IUPACN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
SMILESCOc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3)n2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-12-5-4-6-14(9-12)26-11-17(23)20-19-21-18(22-27-19)13-7-8-15(24-2)16(10-13)25-3/h4-10H,11H2,1-3H3,(H,20,21,22,23)
InChIKeyNZKAKSUEMPBCLH-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.55
Rot. Bonds7

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

N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide (PubChem CID 17013950) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
PubChem CID17013950
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
SMILESCOc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3)n2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-12-5-4-6-14(9-12)26-11-17(23)20-19-21-18(22-27-19)13-7-8-15(24-2)16(10-13)25-3/h4-10H,11H2,1-3H3,(H,20,21,22,23)
InChIKeyNZKAKSUEMPBCLH-UHFFFAOYSA-N
XLogP3.55
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide
CID 35572487
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
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 17012143
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 1395837
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 35573064
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
CID 43994670
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-propoxybenzamide
CID 35345895
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
N-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 26209437
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
pentakis(N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenylacetamide);N,N-dimethylformamide
CID 175653182

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide (CID 17013950) is N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide is COc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3)n2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide?
The InChIKey is NZKAKSUEMPBCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-5-4-6-14(9-12)26-11-17(23)20-19-21-18(22-27-19)13-7-8-15(24-2)16(10-13)25-3/h4-10H,11H2,1-3H3,(H,20,21,22,23).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide?
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.55, 7 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-(3-methylphenoxy)acetamide is sourced from PubChem (CID 17013950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).