(5-ethoxy-1,2,4-thiadiazol-3-yl)methanol

C5H8N2O2S — CID 20623939

IUPAC(5-ethoxy-1,2,4-thiadiazol-3-yl)methanol
SMILESCCOc1nc(CO)ns1
InChIInChI=1S/C5H8N2O2S/c1-2-9-5-6-4(3-8)7-10-5/h8H,2-3H2,1H3
InChIKeyZSAXORTXTCABSW-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.43
Rot. Bonds3

About (5-ethoxy-1,2,4-thiadiazol-3-yl)methanol

(5-ethoxy-1,2,4-thiadiazol-3-yl)methanol (PubChem CID 20623939) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is (5-ethoxy-1,2,4-thiadiazol-3-yl)methanol.

Molecular Properties

Compound Name(5-ethoxy-1,2,4-thiadiazol-3-yl)methanol
PubChem CID20623939
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name(5-ethoxy-1,2,4-thiadiazol-3-yl)methanol
SMILESCCOc1nc(CO)ns1
InChIInChI=1S/C5H8N2O2S/c1-2-9-5-6-4(3-8)7-10-5/h8H,2-3H2,1H3
InChIKeyZSAXORTXTCABSW-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1,2,4-thiadiazol-3-yl)methanol?
The IUPAC name of (5-ethoxy-1,2,4-thiadiazol-3-yl)methanol (CID 20623939) is (5-ethoxy-1,2,4-thiadiazol-3-yl)methanol.
What is the SMILES notation for (5-ethoxy-1,2,4-thiadiazol-3-yl)methanol?
The canonical SMILES for (5-ethoxy-1,2,4-thiadiazol-3-yl)methanol is CCOc1nc(CO)ns1.
What is the InChIKey of (5-ethoxy-1,2,4-thiadiazol-3-yl)methanol?
The InChIKey is ZSAXORTXTCABSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-2-9-5-6-4(3-8)7-10-5/h8H,2-3H2,1H3.
What are the key properties of (5-ethoxy-1,2,4-thiadiazol-3-yl)methanol?
(5-ethoxy-1,2,4-thiadiazol-3-yl)methanol has a molecular weight of 160.20 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-1,2,4-thiadiazol-3-yl)methanol is sourced from PubChem (CID 20623939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).