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

C12H11N3S — CID 107646715

IUPAC5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1c(-c2ccccc2)nc2scnn12
InChIInChI=1S/C12H11N3S/c1-2-10-11(9-6-4-3-5-7-9)14-12-15(10)13-8-16-12/h3-8H,2H2,1H3
InChIKeyMFBAPFRDXKLISD-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.02
Rot. Bonds2

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

5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646715) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646715
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1c(-c2ccccc2)nc2scnn12
InChIInChI=1S/C12H11N3S/c1-2-10-11(9-6-4-3-5-7-9)14-12-15(10)13-8-16-12/h3-8H,2H2,1H3
InChIKeyMFBAPFRDXKLISD-UHFFFAOYSA-N
XLogP3.02
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646481
5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 90267955
3-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068806
6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198119
trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium
CID 4880467
6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 71758489
N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine
CID 3916899
2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219003
7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine
CID 4888810
[6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367601
6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
CID 113303380
8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
CID 107646806

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 107646715) is 5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is CCc1c(-c2ccccc2)nc2scnn12.
What is the InChIKey of 5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is MFBAPFRDXKLISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-2-10-11(9-6-4-3-5-7-9)14-12-15(10)13-8-16-12/h3-8H,2H2,1H3.
What are the key properties of 5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 229.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).