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

C7H11N3OS — CID 82837286

IUPAC3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCC(c2nsc(N)n2)O1
InChIInChI=1S/C7H11N3OS/c1-4-2-3-5(11-4)6-9-7(8)12-10-6/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChIKeyKGZPMYQSXBCJBK-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.36
Rot. Bonds1

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

3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 82837286) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID82837286
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCC(c2nsc(N)n2)O1
InChIInChI=1S/C7H11N3OS/c1-4-2-3-5(11-4)6-9-7(8)12-10-6/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChIKeyKGZPMYQSXBCJBK-UHFFFAOYSA-N
XLogP1.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine (CID 82837286) is 3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine is CC1CCC(c2nsc(N)n2)O1.
What is the InChIKey of 3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KGZPMYQSXBCJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-4-2-3-5(11-4)6-9-7(8)12-10-6/h4-5H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine?
3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 185.25 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 82837286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).