2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol

C9H17N3O2S — CID 65276528

IUPAC2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
SMILESCCCc1nsc(NCCOCCO)n1
InChIInChI=1S/C9H17N3O2S/c1-2-3-8-11-9(15-12-8)10-4-6-14-7-5-13/h13H,2-7H2,1H3,(H,10,11,12)
InChIKeyBAHRCPVKHBOCIE-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.91
Rot. Bonds8

About 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol

2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol (PubChem CID 65276528) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
PubChem CID65276528
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
SMILESCCCc1nsc(NCCOCCO)n1
InChIInChI=1S/C9H17N3O2S/c1-2-3-8-11-9(15-12-8)10-4-6-14-7-5-13/h13H,2-7H2,1H3,(H,10,11,12)
InChIKeyBAHRCPVKHBOCIE-UHFFFAOYSA-N
XLogP0.91
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.91
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-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol (CID 65276528) is 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol is CCCc1nsc(NCCOCCO)n1.
What is the InChIKey of 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The InChIKey is BAHRCPVKHBOCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-2-3-8-11-9(15-12-8)10-4-6-14-7-5-13/h13H,2-7H2,1H3,(H,10,11,12).
What are the key properties of 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol has a molecular weight of 231.32 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 65276528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).