2-(2,2-diethoxyethyl)-1,3,4-thiadiazole

C8H14N2O2S — CID 20511280

IUPAC2-(2,2-diethoxyethyl)-1,3,4-thiadiazole
SMILESCCOC(Cc1nncs1)OCC
InChIInChI=1S/C8H14N2O2S/c1-3-11-8(12-4-2)5-7-10-9-6-13-7/h6,8H,3-5H2,1-2H3
InChIKeyJOEQRFHRYROCCO-UHFFFAOYSA-N
MW202.28 g/mol
LogP1.48
Rot. Bonds6

About 2-(2,2-diethoxyethyl)-1,3,4-thiadiazole

2-(2,2-diethoxyethyl)-1,3,4-thiadiazole (PubChem CID 20511280) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-(2,2-diethoxyethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,2-diethoxyethyl)-1,3,4-thiadiazole
PubChem CID20511280
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-(2,2-diethoxyethyl)-1,3,4-thiadiazole
SMILESCCOC(Cc1nncs1)OCC
InChIInChI=1S/C8H14N2O2S/c1-3-11-8(12-4-2)5-7-10-9-6-13-7/h6,8H,3-5H2,1-2H3
InChIKeyJOEQRFHRYROCCO-UHFFFAOYSA-N
XLogP1.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2,2-diethoxyethyl)-1,3,4-thiadiazole (CID 20511280) is 2-(2,2-diethoxyethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,2-diethoxyethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,2-diethoxyethyl)-1,3,4-thiadiazole is CCOC(Cc1nncs1)OCC.
What is the InChIKey of 2-(2,2-diethoxyethyl)-1,3,4-thiadiazole?
The InChIKey is JOEQRFHRYROCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-11-8(12-4-2)5-7-10-9-6-13-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-(2,2-diethoxyethyl)-1,3,4-thiadiazole?
2-(2,2-diethoxyethyl)-1,3,4-thiadiazole has a molecular weight of 202.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 20511280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).