4-(oxan-4-yloxymethyl)thiadiazol-5-amine

C8H13N3O2S — CID 62188713

IUPAC4-(oxan-4-yloxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COC1CCOCC1
InChIInChI=1S/C8H13N3O2S/c9-8-7(10-11-14-8)5-13-6-1-3-12-4-2-6/h6H,1-5,9H2
InChIKeyXDHVXOSWVFVNEW-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.82
Rot. Bonds3

About 4-(oxan-4-yloxymethyl)thiadiazol-5-amine

4-(oxan-4-yloxymethyl)thiadiazol-5-amine (PubChem CID 62188713) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(oxan-4-yloxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(oxan-4-yloxymethyl)thiadiazol-5-amine
PubChem CID62188713
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name4-(oxan-4-yloxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COC1CCOCC1
InChIInChI=1S/C8H13N3O2S/c9-8-7(10-11-14-8)5-13-6-1-3-12-4-2-6/h6H,1-5,9H2
InChIKeyXDHVXOSWVFVNEW-UHFFFAOYSA-N
XLogP0.82
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclobutyloxymethyl)thiadiazol-5-amine
CID 62190108
4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine
CID 63711122
4-(cyclohexyloxymethyl)-N-ethylthiadiazol-5-amine
CID 62194902
4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine
CID 62193841
4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine
CID 62193056
4-phenylmethoxyoxane
CID 66554133
2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189057
4-[2-(oxan-4-yloxy)ethyl]aniline
CID 61286553
3-bromo-4-(oxan-4-yloxymethyl)aniline
CID 61286957
4-nitro-2-(oxan-4-yloxymethyl)aniline
CID 55044799
CID 168763654
CID 168763654
[1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol
CID 112628703

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(oxan-4-yloxymethyl)thiadiazol-5-amine (CID 62188713) is 4-(oxan-4-yloxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(oxan-4-yloxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(oxan-4-yloxymethyl)thiadiazol-5-amine is Nc1snnc1COC1CCOCC1.
What is the InChIKey of 4-(oxan-4-yloxymethyl)thiadiazol-5-amine?
The InChIKey is XDHVXOSWVFVNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c9-8-7(10-11-14-8)5-13-6-1-3-12-4-2-6/h6H,1-5,9H2.
What are the key properties of 4-(oxan-4-yloxymethyl)thiadiazol-5-amine?
4-(oxan-4-yloxymethyl)thiadiazol-5-amine has a molecular weight of 215.28 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62188713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).