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

C5H8N2OS — CID 67257370

IUPAC(3-ethyl-1,2,4-thiadiazol-5-yl)methanol
SMILESCCc1nsc(CO)n1
InChIInChI=1S/C5H8N2OS/c1-2-4-6-5(3-8)9-7-4/h8H,2-3H2,1H3
InChIKeyCCHCUPNPXSIVDD-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.59
Rot. Bonds2

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

(3-ethyl-1,2,4-thiadiazol-5-yl)methanol (PubChem CID 67257370) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is (3-ethyl-1,2,4-thiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-1,2,4-thiadiazol-5-yl)methanol
PubChem CID67257370
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name(3-ethyl-1,2,4-thiadiazol-5-yl)methanol
SMILESCCc1nsc(CO)n1
InChIInChI=1S/C5H8N2OS/c1-2-4-6-5(3-8)9-7-4/h8H,2-3H2,1H3
InChIKeyCCHCUPNPXSIVDD-UHFFFAOYSA-N
XLogP0.59
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2,4-thiadiazol-5-yl)methanol?
The IUPAC name of (3-ethyl-1,2,4-thiadiazol-5-yl)methanol (CID 67257370) is (3-ethyl-1,2,4-thiadiazol-5-yl)methanol.
What is the SMILES notation for (3-ethyl-1,2,4-thiadiazol-5-yl)methanol?
The canonical SMILES for (3-ethyl-1,2,4-thiadiazol-5-yl)methanol is CCc1nsc(CO)n1.
What is the InChIKey of (3-ethyl-1,2,4-thiadiazol-5-yl)methanol?
The InChIKey is CCHCUPNPXSIVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-2-4-6-5(3-8)9-7-4/h8H,2-3H2,1H3.
What are the key properties of (3-ethyl-1,2,4-thiadiazol-5-yl)methanol?
(3-ethyl-1,2,4-thiadiazol-5-yl)methanol has a molecular weight of 144.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2,4-thiadiazol-5-yl)methanol is sourced from PubChem (CID 67257370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).