1,2,4-thiadiazol-5-ylmethanol

C3H4N2OS — CID 23080869

IUPAC1,2,4-thiadiazol-5-ylmethanol
SMILESOCc1ncns1
InChIInChI=1S/C3H4N2OS/c6-1-3-4-2-5-7-3/h2,6H,1H2
InChIKeyCCWICYPDYRZQFG-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.03
Rot. Bonds1

About 1,2,4-thiadiazol-5-ylmethanol

1,2,4-thiadiazol-5-ylmethanol (PubChem CID 23080869) has the molecular formula C3H4N2OS and a molecular weight of 116.14 g/mol. Its IUPAC name is 1,2,4-thiadiazol-5-ylmethanol.

Molecular Properties

Compound Name1,2,4-thiadiazol-5-ylmethanol
PubChem CID23080869
Molecular FormulaC3H4N2OS
Molecular Weight116.14 g/mol
Exact Mass116.00
IUPAC Name1,2,4-thiadiazol-5-ylmethanol
SMILESOCc1ncns1
InChIInChI=1S/C3H4N2OS/c6-1-3-4-2-5-7-3/h2,6H,1H2
InChIKeyCCWICYPDYRZQFG-UHFFFAOYSA-N
XLogP0.03
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-thiadiazol-5-ylmethanol?
The IUPAC name of 1,2,4-thiadiazol-5-ylmethanol (CID 23080869) is 1,2,4-thiadiazol-5-ylmethanol.
What is the SMILES notation for 1,2,4-thiadiazol-5-ylmethanol?
The canonical SMILES for 1,2,4-thiadiazol-5-ylmethanol is OCc1ncns1.
What is the InChIKey of 1,2,4-thiadiazol-5-ylmethanol?
The InChIKey is CCWICYPDYRZQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2OS/c6-1-3-4-2-5-7-3/h2,6H,1H2.
What are the key properties of 1,2,4-thiadiazol-5-ylmethanol?
1,2,4-thiadiazol-5-ylmethanol has a molecular weight of 116.14 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-thiadiazol-5-ylmethanol is sourced from PubChem (CID 23080869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).