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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Related Compounds

6-Ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 44272670
5,6-Dimethylimidazo[2,1-b][1,3,4]thiadiazole
CID 12242766
5,6-Di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 59841462
6-Methyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 89226788
5-Thia-2,3,7,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,6,11-tetraene
CID 122531072
5-(2-Ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 129260270
2,6-Dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 130822161
N-(2-bromo-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanimine
CID 156239758
6-Propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 177143990
6-Ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 12363135
2-Bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 43159279
2-Bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole
CID 43159326

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).