[4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol

C8H14N4O2S — CID 106301087

IUPAC[4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol
SMILESNc1nsc(NC2(CO)CCOCC2)n1
InChIInChI=1S/C8H14N4O2S/c9-6-10-7(15-12-6)11-8(5-13)1-3-14-4-2-8/h13H,1-5H2,(H3,9,10,11,12)
InChIKeyBJVJUYZSUZSRED-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.07
Rot. Bonds3

About [4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol

[4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol (PubChem CID 106301087) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is [4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol
PubChem CID106301087
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name[4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol
SMILESNc1nsc(NC2(CO)CCOCC2)n1
InChIInChI=1S/C8H14N4O2S/c9-6-10-7(15-12-6)11-8(5-13)1-3-14-4-2-8/h13H,1-5H2,(H3,9,10,11,12)
InChIKeyBJVJUYZSUZSRED-UHFFFAOYSA-N
XLogP0.07
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol (CID 106301087) is [4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol is Nc1nsc(NC2(CO)CCOCC2)n1.
What is the InChIKey of [4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol?
The InChIKey is BJVJUYZSUZSRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c9-6-10-7(15-12-6)11-8(5-13)1-3-14-4-2-8/h13H,1-5H2,(H3,9,10,11,12).
What are the key properties of [4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol?
[4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol has a molecular weight of 230.29 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106301087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).