5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine

C10H11N3O2S — CID 46741378

IUPAC5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine
SMILESCOc1ccc(-c2nc(N)ns2)cc1OC
InChIInChI=1S/C10H11N3O2S/c1-14-7-4-3-6(5-8(7)15-2)9-12-10(11)13-16-9/h3-5H,1-2H3,(H2,11,13)
InChIKeyWDEDMMNPBVPGJS-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.80
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine

5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine (PubChem CID 46741378) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine
PubChem CID46741378
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine
SMILESCOc1ccc(-c2nc(N)ns2)cc1OC
InChIInChI=1S/C10H11N3O2S/c1-14-7-4-3-6(5-8(7)15-2)9-12-10(11)13-16-9/h3-5H,1-2H3,(H2,11,13)
InChIKeyWDEDMMNPBVPGJS-UHFFFAOYSA-N
XLogP1.80
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-(N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methylamino)propyloxy)-5-phenyl-1,2,4-thiadiazole
CID 10364418
N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 10014953
US11559538, Example 147
CID 150906143
5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 652386
3,5-Bis(3-methoxyphenyl)-1,2,4-thiadiazole
CID 56837846
6-(1,3-Benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine
CID 57328524
3,5-Bis(4-methoxyphenyl)-1,2,4-thiadiazole
CID 596715
US11559538, Example 72
CID 149840653
US11559538, Example 181
CID 150727630
5-(3,4-Dimethoxyphenyl)-3-(2-methylprop-2-enylthio)-1,2,4-triazole-4-ylamine
CID 662712
3-(3-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 43556066
3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 16446930

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine (CID 46741378) is 5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine is COc1ccc(-c2nc(N)ns2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is WDEDMMNPBVPGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-14-7-4-3-6(5-8(7)15-2)9-12-10(11)13-16-9/h3-5H,1-2H3,(H2,11,13).
What are the key properties of 5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine?
5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 237.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 46741378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).