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

C14H17N3O3S — CID 17013841

IUPACN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
SMILESCOc1ccc(-c2nsc(NC(=O)C(C)C)n2)cc1OC
InChIInChI=1S/C14H17N3O3S/c1-8(2)13(18)16-14-15-12(17-21-14)9-5-6-10(19-3)11(7-9)20-4/h5-8H,1-4H3,(H,15,16,17,18)
InChIKeyAEBOQNSYOXCPOM-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.82
Rot. Bonds5

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

N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide (PubChem CID 17013841) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
PubChem CID17013841
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
SMILESCOc1ccc(-c2nsc(NC(=O)C(C)C)n2)cc1OC
InChIInChI=1S/C14H17N3O3S/c1-8(2)13(18)16-14-15-12(17-21-14)9-5-6-10(19-3)11(7-9)20-4/h5-8H,1-4H3,(H,15,16,17,18)
InChIKeyAEBOQNSYOXCPOM-UHFFFAOYSA-N
XLogP2.82
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)propanamide
CID 35180744
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 17012143
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-methoxybenzamide
CID 17012358
4-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 17013946
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
(2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414813
(2R)-2-(2-methoxyphenoxy)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 35041836
tris(N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-propan-2-yloxybenzamide);1,4-dioxane
CID 175653248
pentakis(N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenylacetamide);N,N-dimethylformamide
CID 175653182
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 35345260
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345269

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide (CID 17013841) is N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide is COc1ccc(-c2nsc(NC(=O)C(C)C)n2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide?
The InChIKey is AEBOQNSYOXCPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8(2)13(18)16-14-15-12(17-21-14)9-5-6-10(19-3)11(7-9)20-4/h5-8H,1-4H3,(H,15,16,17,18).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide?
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide has a molecular weight of 307.38 g/mol, XLogP of 2.82, 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]-2-methylpropanamide is sourced from PubChem (CID 17013841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).