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

C10H19N3O2S — CID 65276471

IUPAC2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
SMILESCC(C)(C)c1nsc(NCCOCCO)n1
InChIInChI=1S/C10H19N3O2S/c1-10(2,3)8-12-9(16-13-8)11-4-6-15-7-5-14/h14H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyHWIXACGJAQPMGT-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.26
Rot. Bonds6

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

2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol (PubChem CID 65276471) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
PubChem CID65276471
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
SMILESCC(C)(C)c1nsc(NCCOCCO)n1
InChIInChI=1S/C10H19N3O2S/c1-10(2,3)8-12-9(16-13-8)11-4-6-15-7-5-14/h14H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyHWIXACGJAQPMGT-UHFFFAOYSA-N
XLogP1.26
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 102561715
3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273980
2-[2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol
CID 107304911
3-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 113772994
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
2-[2-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
CID 65267695
N-(2-methylpropyl)-3-(propoxymethyl)-1,2,4-thiadiazol-5-amine
CID 65267876
3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267882
N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268046
N-(2-methoxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268177
3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65268183

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol (CID 65276471) is 2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol is CC(C)(C)c1nsc(NCCOCCO)n1.
What is the InChIKey of 2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The InChIKey is HWIXACGJAQPMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-10(2,3)8-12-9(16-13-8)11-4-6-15-7-5-14/h14H,4-7H2,1-3H3,(H,11,12,13).
What are the key properties of 2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol has a molecular weight of 245.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 65276471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).