5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole

C7H9N3S — CID 90267955

IUPAC5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1c(C)nc2scnn12
InChIInChI=1S/C7H9N3S/c1-3-6-5(2)9-7-10(6)8-4-11-7/h4H,3H2,1-2H3
InChIKeyMRLUBFDNVYVDTO-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.66
Rot. Bonds1

About 5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole

5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 90267955) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID90267955
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1c(C)nc2scnn12
InChIInChI=1S/C7H9N3S/c1-3-6-5(2)9-7-10(6)8-4-11-7/h4H,3H2,1-2H3
InChIKeyMRLUBFDNVYVDTO-UHFFFAOYSA-N
XLogP1.66
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 90267955) is 5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole is CCc1c(C)nc2scnn12.
What is the InChIKey of 5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is MRLUBFDNVYVDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-3-6-5(2)9-7-10(6)8-4-11-7/h4H,3H2,1-2H3.
What are the key properties of 5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 167.24 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 90267955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).