[5-(hydroxymethyl)thiadiazol-4-yl]methanol

C4H6N2O2S — CID 20557871

IUPAC[5-(hydroxymethyl)thiadiazol-4-yl]methanol
SMILESOCc1nnsc1CO
InChIInChI=1S/C4H6N2O2S/c7-1-3-4(2-8)9-6-5-3/h7-8H,1-2H2
InChIKeyNBOSTBAABAFSLI-UHFFFAOYSA-N
MW146.17 g/mol
LogP-0.48
Rot. Bonds2

About [5-(hydroxymethyl)thiadiazol-4-yl]methanol

[5-(hydroxymethyl)thiadiazol-4-yl]methanol (PubChem CID 20557871) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is [5-(hydroxymethyl)thiadiazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)thiadiazol-4-yl]methanol
PubChem CID20557871
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name[5-(hydroxymethyl)thiadiazol-4-yl]methanol
SMILESOCc1nnsc1CO
InChIInChI=1S/C4H6N2O2S/c7-1-3-4(2-8)9-6-5-3/h7-8H,1-2H2
InChIKeyNBOSTBAABAFSLI-UHFFFAOYSA-N
XLogP-0.48
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)thiadiazol-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)thiadiazol-4-yl]methanol (CID 20557871) is [5-(hydroxymethyl)thiadiazol-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)thiadiazol-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)thiadiazol-4-yl]methanol is OCc1nnsc1CO.
What is the InChIKey of [5-(hydroxymethyl)thiadiazol-4-yl]methanol?
The InChIKey is NBOSTBAABAFSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S/c7-1-3-4(2-8)9-6-5-3/h7-8H,1-2H2.
What are the key properties of [5-(hydroxymethyl)thiadiazol-4-yl]methanol?
[5-(hydroxymethyl)thiadiazol-4-yl]methanol has a molecular weight of 146.17 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)thiadiazol-4-yl]methanol is sourced from PubChem (CID 20557871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).