3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine

C8H13N3O2S — CID 116744803

IUPAC3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCOC1(c2nsc(N)n2)CCOCC1
InChIInChI=1S/C8H13N3O2S/c1-12-8(2-4-13-5-3-8)6-10-7(9)14-11-6/h2-5H2,1H3,(H2,9,10,11)
InChIKeyQPFYIWYFKZDYLR-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.77
Rot. Bonds2

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

3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 116744803) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID116744803
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCOC1(c2nsc(N)n2)CCOCC1
InChIInChI=1S/C8H13N3O2S/c1-12-8(2-4-13-5-3-8)6-10-7(9)14-11-6/h2-5H2,1H3,(H2,9,10,11)
InChIKeyQPFYIWYFKZDYLR-UHFFFAOYSA-N
XLogP0.77
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Oxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 62385373
3-(2-Methyloxan-2-yl)-1,2,4-thiadiazol-5-amine
CID 80690243
5-Bromo-3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazole
CID 102618178
5-Bromo-3-(4-ethoxyoxan-4-yl)-1,2,4-thiadiazole
CID 102618273
5-Iodo-3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazole
CID 102618630
3-(4-Ethoxyoxan-4-yl)-5-iodo-1,2,4-thiadiazole
CID 102618725
3-(1-Methoxycyclopentyl)-1,2,4-thiadiazol-5-amine
CID 104609899
3-(4-ethoxyoxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 113563438
N-cyclopropyl-3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 113563447
N-(2-methoxyethyl)-3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 113563454
3-(1-Methoxycyclohexyl)-1,2,4-thiadiazol-5-amine
CID 116744798
3-(3-Methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine
CID 116744805

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine (CID 116744803) is 3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine is COC1(c2nsc(N)n2)CCOCC1.
What is the InChIKey of 3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QPFYIWYFKZDYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-12-8(2-4-13-5-3-8)6-10-7(9)14-11-6/h2-5H2,1H3,(H2,9,10,11).
What are the key properties of 3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine?
3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 215.28 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 116744803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).