N-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C11H12N4OS2 — CID 58285392

IUPACN-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOCCNc1nn2c(-c3ccsc3)cnc2s1
InChIInChI=1S/C11H12N4OS2/c1-16-4-3-12-10-14-15-9(6-13-11(15)18-10)8-2-5-17-7-8/h2,5-7H,3-4H2,1H3,(H,12,14)
InChIKeyPSPGMZAEHRFFAB-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.58
Rot. Bonds5

About N-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285392) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285392
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC NameN-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOCCNc1nn2c(-c3ccsc3)cnc2s1
InChIInChI=1S/C11H12N4OS2/c1-16-4-3-12-10-14-15-9(6-13-11(15)18-10)8-2-5-17-7-8/h2,5-7H,3-4H2,1H3,(H,12,14)
InChIKeyPSPGMZAEHRFFAB-UHFFFAOYSA-N
XLogP2.58
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285392) is N-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is COCCNc1nn2c(-c3ccsc3)cnc2s1.
What is the InChIKey of N-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is PSPGMZAEHRFFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-16-4-3-12-10-14-15-9(6-13-11(15)18-10)8-2-5-17-7-8/h2,5-7H,3-4H2,1H3,(H,12,14).
What are the key properties of N-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 280.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).