2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole

C10H18N2O6S — CID 12639669

IUPAC2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole
SMILESCOC(OC)(OC)c1nnc(C(OC)(OC)OC)s1
InChIInChI=1S/C10H18N2O6S/c1-13-9(14-2,15-3)7-11-12-8(19-7)10(16-4,17-5)18-6/h1-6H3
InChIKeyVQSOEVDJBFCYAE-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.64
Rot. Bonds8

About 2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole

2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole (PubChem CID 12639669) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole
PubChem CID12639669
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole
SMILESCOC(OC)(OC)c1nnc(C(OC)(OC)OC)s1
InChIInChI=1S/C10H18N2O6S/c1-13-9(14-2,15-3)7-11-12-8(19-7)10(16-4,17-5)18-6/h1-6H3
InChIKeyVQSOEVDJBFCYAE-UHFFFAOYSA-N
XLogP0.64
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole?
The IUPAC name of 2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole (CID 12639669) is 2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole is COC(OC)(OC)c1nnc(C(OC)(OC)OC)s1.
What is the InChIKey of 2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole?
The InChIKey is VQSOEVDJBFCYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-13-9(14-2,15-3)7-11-12-8(19-7)10(16-4,17-5)18-6/h1-6H3.
What are the key properties of 2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole?
2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole has a molecular weight of 294.33 g/mol, XLogP of 0.64, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(trimethoxymethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 12639669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).