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

C9H9N3OS — CID 43556066

IUPAC3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(-c2nsc(N)n2)c1
InChIInChI=1S/C9H9N3OS/c1-13-7-4-2-3-6(5-7)8-11-9(10)14-12-8/h2-5H,1H3,(H2,10,11,12)
InChIKeyOQPXWQMYTDLODL-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.80
Rot. Bonds2

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

3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 43556066) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine
PubChem CID43556066
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(-c2nsc(N)n2)c1
InChIInChI=1S/C9H9N3OS/c1-13-7-4-2-3-6(5-7)8-11-9(10)14-12-8/h2-5H,1H3,(H2,10,11,12)
InChIKeyOQPXWQMYTDLODL-UHFFFAOYSA-N
XLogP1.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine (CID 43556066) is 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine is COc1cccc(-c2nsc(N)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OQPXWQMYTDLODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-13-7-4-2-3-6(5-7)8-11-9(10)14-12-8/h2-5H,1H3,(H2,10,11,12).
What are the key properties of 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine?
3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 207.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 43556066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).