2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole

C13H13N3O2S — CID 19209536

IUPAC2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOCc1nn2cc(-c3ccccc3OC)nc2s1
InChIInChI=1S/C13H13N3O2S/c1-17-8-12-15-16-7-10(14-13(16)19-12)9-5-3-4-6-11(9)18-2/h3-7H,8H2,1-2H3
InChIKeyGBWJAXPPZPPVEN-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.61
Rot. Bonds4

About 2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole

2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209536) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209536
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOCc1nn2cc(-c3ccccc3OC)nc2s1
InChIInChI=1S/C13H13N3O2S/c1-17-8-12-15-16-7-10(14-13(16)19-12)9-5-3-4-6-11(9)18-2/h3-7H,8H2,1-2H3
InChIKeyGBWJAXPPZPPVEN-UHFFFAOYSA-N
XLogP2.61
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 19209536) is 2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is COCc1nn2cc(-c3ccccc3OC)nc2s1.
What is the InChIKey of 2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is GBWJAXPPZPPVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-17-8-12-15-16-7-10(14-13(16)19-12)9-5-3-4-6-11(9)18-2/h3-7H,8H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 275.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).