2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol

C10H10N2OS2 — CID 65274598

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCCc1nsc(Sc2ccccc2O)n1
InChIInChI=1S/C10H10N2OS2/c1-2-9-11-10(15-12-9)14-8-6-4-3-5-7(8)13/h3-6,13H,2H2,1H3
InChIKeyLGJKOCLOQHSLLB-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.96
Rot. Bonds3

About 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (PubChem CID 65274598) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
PubChem CID65274598
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCCc1nsc(Sc2ccccc2O)n1
InChIInChI=1S/C10H10N2OS2/c1-2-9-11-10(15-12-9)14-8-6-4-3-5-7(8)13/h3-6,13H,2H2,1H3
InChIKeyLGJKOCLOQHSLLB-UHFFFAOYSA-N
XLogP2.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (CID 65274598) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is CCc1nsc(Sc2ccccc2O)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The InChIKey is LGJKOCLOQHSLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c1-2-9-11-10(15-12-9)14-8-6-4-3-5-7(8)13/h3-6,13H,2H2,1H3.
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol has a molecular weight of 238.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is sourced from PubChem (CID 65274598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).