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

C9H17N3O2S — CID 65276473

IUPAC2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
SMILESCC(C)c1nsc(NCCOCCO)n1
InChIInChI=1S/C9H17N3O2S/c1-7(2)8-11-9(15-12-8)10-3-5-14-6-4-13/h7,13H,3-6H2,1-2H3,(H,10,11,12)
InChIKeyFWBSIJCQXUSZKO-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.08
Rot. Bonds7

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

2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol (PubChem CID 65276473) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
PubChem CID65276473
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
SMILESCC(C)c1nsc(NCCOCCO)n1
InChIInChI=1S/C9H17N3O2S/c1-7(2)8-11-9(15-12-8)10-3-5-14-6-4-13/h7,13H,3-6H2,1-2H3,(H,10,11,12)
InChIKeyFWBSIJCQXUSZKO-UHFFFAOYSA-N
XLogP1.08
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.08
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-Morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 84591120
1-Methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 102561715
3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273982
N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103081427
3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267473
N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
CID 65267477
3-(1-ethoxyethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267528
3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267586
3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267591
N-(2-methoxyethyl)-3-(propoxymethyl)-1,2,4-thiadiazol-5-amine
CID 65267592
N-(2-butoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267628
2-[2-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
CID 65267695

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol (CID 65276473) is 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol is CC(C)c1nsc(NCCOCCO)n1.
What is the InChIKey of 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The InChIKey is FWBSIJCQXUSZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-7(2)8-11-9(15-12-8)10-3-5-14-6-4-13/h7,13H,3-6H2,1-2H3,(H,10,11,12).
What are the key properties of 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol has a molecular weight of 231.32 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 65276473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).