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

C7H11N3OS — CID 79763828

IUPAC5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
SMILESCC1OCCC1c1nc(N)ns1
InChIInChI=1S/C7H11N3OS/c1-4-5(2-3-11-4)6-9-7(8)10-12-6/h4-5H,2-3H2,1H3,(H2,8,10)
InChIKeyQQUGJAOWCLCEHV-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.01
Rot. Bonds1

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

5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 79763828) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
PubChem CID79763828
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
SMILESCC1OCCC1c1nc(N)ns1
InChIInChI=1S/C7H11N3OS/c1-4-5(2-3-11-4)6-9-7(8)10-12-6/h4-5H,2-3H2,1H3,(H2,8,10)
InChIKeyQQUGJAOWCLCEHV-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine (CID 79763828) is 5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine is CC1OCCC1c1nc(N)ns1.
What is the InChIKey of 5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is QQUGJAOWCLCEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-4-5(2-3-11-4)6-9-7(8)10-12-6/h4-5H,2-3H2,1H3,(H2,8,10).
What are the key properties of 5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine?
5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 185.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 79763828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).