ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate

C10H16N2O5S — CID 113426788

IUPACethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(OCCOCCOC)s1
InChIInChI=1S/C10H16N2O5S/c1-3-16-9(13)8-11-12-10(18-8)17-7-6-15-5-4-14-2/h3-7H2,1-2H3
InChIKeyHANLKAVFDPNXTQ-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.76
Rot. Bonds9

About ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate

ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate (PubChem CID 113426788) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate
PubChem CID113426788
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Nameethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(OCCOCCOC)s1
InChIInChI=1S/C10H16N2O5S/c1-3-16-9(13)8-11-12-10(18-8)17-7-6-15-5-4-14-2/h3-7H2,1-2H3
InChIKeyHANLKAVFDPNXTQ-UHFFFAOYSA-N
XLogP0.76
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-[(2-methylpropan-2-yl)oxy]-1,3,4-thiadiazole-2-carboxylate
CID 80604960
ethyl 5-(1-ethoxypropan-2-yloxy)-1,3,4-thiadiazole-2-carboxylate
CID 103487209
ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80605668
ethyl 5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazole-2-carboxylate
CID 80613049
ethyl 5-propan-2-yl-1,3,4-thiadiazole-2-carboxylate
CID 59459549
ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride
CID 146082356
ethyl 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole-2-carboxylate
CID 80605209
ethyl 5-(2-methoxy-4-methylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80612559
ethyl 5-(4-tert-butylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80610282
ethyl 5-(3-methylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80612799
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80612155

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate?
The IUPAC name of ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate (CID 113426788) is ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate is CCOC(=O)c1nnc(OCCOCCOC)s1.
What is the InChIKey of ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate?
The InChIKey is HANLKAVFDPNXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-3-16-9(13)8-11-12-10(18-8)17-7-6-15-5-4-14-2/h3-7H2,1-2H3.
What are the key properties of ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate?
ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate has a molecular weight of 276.31 g/mol, XLogP of 0.76, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate is sourced from PubChem (CID 113426788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).