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

C12H11N3S — CID 761213

IUPAC2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C12H11N3S/c1-2-11-14-15-8-10(13-12(15)16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyCSSSOHYFELMBPW-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.02
Rot. Bonds2

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

2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 761213) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID761213
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C12H11N3S/c1-2-11-14-15-8-10(13-12(15)16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyCSSSOHYFELMBPW-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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 761213) is 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is CCc1nn2cc(-c3ccccc3)nc2s1.
What is the InChIKey of 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CSSSOHYFELMBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-2-11-14-15-8-10(13-12(15)16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
2-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 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 761213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).