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

C10H10N2OS2 — CID 65275439

IUPAC4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCCc1nsc(Sc2ccc(O)cc2)n1
InChIInChI=1S/C10H10N2OS2/c1-2-9-11-10(15-12-9)14-8-5-3-7(13)4-6-8/h3-6,13H,2H2,1H3
InChIKeyKXFVYAQQIAMDGB-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.96
Rot. Bonds3

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

4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (PubChem CID 65275439) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.

Molecular Properties

Compound Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
PubChem CID65275439
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCCc1nsc(Sc2ccc(O)cc2)n1
InChIInChI=1S/C10H10N2OS2/c1-2-9-11-10(15-12-9)14-8-5-3-7(13)4-6-8/h3-6,13H,2H2,1H3
InChIKeyKXFVYAQQIAMDGB-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 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (CID 65275439) is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.
What is the SMILES notation for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The canonical SMILES for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is CCc1nsc(Sc2ccc(O)cc2)n1.
What is the InChIKey of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The InChIKey is KXFVYAQQIAMDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c1-2-9-11-10(15-12-9)14-8-5-3-7(13)4-6-8/h3-6,13H,2H2,1H3.
What are the key properties of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
4-[(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 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is sourced from PubChem (CID 65275439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).