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

C9H15N3O2S — CID 65276474

IUPAC2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(C2CC2)ns1
InChIInChI=1S/C9H15N3O2S/c13-4-6-14-5-3-10-9-11-8(12-15-9)7-1-2-7/h7,13H,1-6H2,(H,10,11,12)
InChIKeyCRMDTASESLIZMB-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.84
Rot. Bonds7

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

2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol (PubChem CID 65276474) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
PubChem CID65276474
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(C2CC2)ns1
InChIInChI=1S/C9H15N3O2S/c13-4-6-14-5-3-10-9-11-8(12-15-9)7-1-2-7/h7,13H,1-6H2,(H,10,11,12)
InChIKeyCRMDTASESLIZMB-UHFFFAOYSA-N
XLogP0.84
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.84
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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Related Compounds

1-Methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 102561715
3-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274036
3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103081675
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103736425
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 103894633
[5-(Cyclopropylmethylamino)-1,2,4-thiadiazol-3-yl]methanol
CID 68421417
2-[2-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
CID 65267695
3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267945
N-(2-methoxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268177
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 65270983
3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271014
2-[[3-(1-Methylethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 65271034

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol (CID 65276474) is 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol is OCCOCCNc1nc(C2CC2)ns1.
What is the InChIKey of 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The InChIKey is CRMDTASESLIZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c13-4-6-14-5-3-10-9-11-8(12-15-9)7-1-2-7/h7,13H,1-6H2,(H,10,11,12).
What are the key properties of 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol has a molecular weight of 229.30 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 65276474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).