2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol

C6H11N3O2S — CID 65276472

IUPAC2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol
SMILESOCCOCCNc1ncns1
InChIInChI=1S/C6H11N3O2S/c10-2-4-11-3-1-7-6-8-5-9-12-6/h5,10H,1-4H2,(H,7,8,9)
InChIKeyHXABGMHAJGGSAB-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.04
Rot. Bonds6

About 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol

2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol (PubChem CID 65276472) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol
PubChem CID65276472
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol
SMILESOCCOCCNc1ncns1
InChIInChI=1S/C6H11N3O2S/c10-2-4-11-3-1-7-6-8-5-9-12-6/h5,10H,1-4H2,(H,7,8,9)
InChIKeyHXABGMHAJGGSAB-UHFFFAOYSA-N
XLogP-0.04
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol (CID 65276472) is 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol is OCCOCCNc1ncns1.
What is the InChIKey of 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol?
The InChIKey is HXABGMHAJGGSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c10-2-4-11-3-1-7-6-8-5-9-12-6/h5,10H,1-4H2,(H,7,8,9).
What are the key properties of 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol?
2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol has a molecular weight of 189.24 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]ethanol is sourced from PubChem (CID 65276472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).