3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine

C8H8N4OS — CID 46839741

IUPAC3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(-c2nsc(N)n2)n1
InChIInChI=1S/C8H8N4OS/c1-13-6-4-2-3-5(10-6)7-11-8(9)14-12-7/h2-4H,1H3,(H2,9,11,12)
InChIKeyBOBMMZFPVMYTBX-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.19
Rot. Bonds2

About 3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine

3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 46839741) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID46839741
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(-c2nsc(N)n2)n1
InChIInChI=1S/C8H8N4OS/c1-13-6-4-2-3-5(10-6)7-11-8(9)14-12-7/h2-4H,1H3,(H2,9,11,12)
InChIKeyBOBMMZFPVMYTBX-UHFFFAOYSA-N
XLogP1.19
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 46839741) is 3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is COc1cccc(-c2nsc(N)n2)n1.
What is the InChIKey of 3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BOBMMZFPVMYTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-13-6-4-2-3-5(10-6)7-11-8(9)14-12-7/h2-4H,1H3,(H2,9,11,12).
What are the key properties of 3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 208.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 46839741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).