1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C5H8N2O2S — CID 54298704

IUPAC1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCC(O)COc1cnsn1
InChIInChI=1S/C5H8N2O2S/c1-4(8)3-9-5-2-6-10-7-5/h2,4,8H,3H2,1H3
InChIKeyKWCILWPTKOOHDJ-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.30
Rot. Bonds3

About 1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 54298704) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID54298704
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCC(O)COc1cnsn1
InChIInChI=1S/C5H8N2O2S/c1-4(8)3-9-5-2-6-10-7-5/h2,4,8H,3H2,1H3
InChIKeyKWCILWPTKOOHDJ-UHFFFAOYSA-N
XLogP0.30
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 54298704) is 1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is CC(O)COc1cnsn1.
What is the InChIKey of 1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is KWCILWPTKOOHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-4(8)3-9-5-2-6-10-7-5/h2,4,8H,3H2,1H3.
What are the key properties of 1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 160.20 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 54298704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).