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

C9H14F3N3O2S — CID 114263321

IUPAC2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol
SMILESCCN(CCOCCO)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H14F3N3O2S/c1-2-15(3-5-17-6-4-16)8-14-13-7(18-8)9(10,11)12/h16H,2-6H2,1H3
InChIKeyWNGVDZXLOPZHLM-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.39
Rot. Bonds7

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

2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol (PubChem CID 114263321) has the molecular formula C9H14F3N3O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol
PubChem CID114263321
Molecular FormulaC9H14F3N3O2S
Molecular Weight285.29 g/mol
Exact Mass285.08
IUPAC Name2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol
SMILESCCN(CCOCCO)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H14F3N3O2S/c1-2-15(3-5-17-6-4-16)8-14-13-7(18-8)9(10,11)12/h16H,2-6H2,1H3
InChIKeyWNGVDZXLOPZHLM-UHFFFAOYSA-N
XLogP1.39
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
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-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol (CID 114263321) is 2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol is CCN(CCOCCO)c1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol?
The InChIKey is WNGVDZXLOPZHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S/c1-2-15(3-5-17-6-4-16)8-14-13-7(18-8)9(10,11)12/h16H,2-6H2,1H3.
What are the key properties of 2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol?
2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol has a molecular weight of 285.29 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 114263321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).