4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine

C8H13N3O2S — CID 62187477

IUPAC4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCC1CCOC1
InChIInChI=1S/C8H13N3O2S/c9-8-7(10-11-14-8)5-13-4-6-1-2-12-3-6/h6H,1-5,9H2
InChIKeyIULKKFKSPZYPLH-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.67
Rot. Bonds4

About 4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine

4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine (PubChem CID 62187477) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine
PubChem CID62187477
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCC1CCOC1
InChIInChI=1S/C8H13N3O2S/c9-8-7(10-11-14-8)5-13-4-6-1-2-12-3-6/h6H,1-5,9H2
InChIKeyIULKKFKSPZYPLH-UHFFFAOYSA-N
XLogP0.67
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine (CID 62187477) is 4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine is Nc1snnc1COCC1CCOC1.
What is the InChIKey of 4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine?
The InChIKey is IULKKFKSPZYPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c9-8-7(10-11-14-8)5-13-4-6-1-2-12-3-6/h6H,1-5,9H2.
What are the key properties of 4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine?
4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine has a molecular weight of 215.28 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethoxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62187477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).