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

C8H8N4OS — CID 46839740

IUPAC3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(-c2nsc(N)n2)nc1
InChIInChI=1S/C8H8N4OS/c1-13-5-2-3-6(10-4-5)7-11-8(9)14-12-7/h2-4H,1H3,(H2,9,11,12)
InChIKeyVUXZOLYLSMERMK-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.19
Rot. Bonds2

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

3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 46839740) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID46839740
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(-c2nsc(N)n2)nc1
InChIInChI=1S/C8H8N4OS/c1-13-5-2-3-6(10-4-5)7-11-8(9)14-12-7/h2-4H,1H3,(H2,9,11,12)
InChIKeyVUXZOLYLSMERMK-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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Related Compounds

3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
CID 155230831
3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 46839741
3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride
CID 75485647
6-(5-methoxy-2-pyridinyl)pyridazin-3-amine
CID 142791186
3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 155123145
3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 155230807
5-[4-(4-methoxyphenyl)phenyl]pyrazin-2-amine
CID 25140980
4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 175923533
3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine
CID 46839772
5-methoxy-2-pyridin-4-ylpyridine
CID 46315979
5-methoxy-2-pyridin-2-ylpyridine
CID 604153
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 46839740) is 3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is COc1ccc(-c2nsc(N)n2)nc1.
What is the InChIKey of 3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VUXZOLYLSMERMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-13-5-2-3-6(10-4-5)7-11-8(9)14-12-7/h2-4H,1H3,(H2,9,11,12).
What are the key properties of 3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
3-(5-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-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 46839740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).