6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole

C14H9N3S2 — CID 2817054

IUPAC6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cn3nc(-c4cccs4)sc3n2)cc1
InChIInChI=1S/C14H9N3S2/c1-2-5-10(6-3-1)11-9-17-14(15-11)19-13(16-17)12-7-4-8-18-12/h1-9H
InChIKeyYNIGCLYLGXAIDI-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.19
Rot. Bonds2

About 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole

6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 2817054) has the molecular formula C14H9N3S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID2817054
Molecular FormulaC14H9N3S2
Molecular Weight283.38 g/mol
Exact Mass283.02
IUPAC Name6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cn3nc(-c4cccs4)sc3n2)cc1
InChIInChI=1S/C14H9N3S2/c1-2-5-10(6-3-1)11-9-17-14(15-11)19-13(16-17)12-7-4-8-18-12/h1-9H
InChIKeyYNIGCLYLGXAIDI-UHFFFAOYSA-N
XLogP4.19
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 2817054) is 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole is c1ccc(-c2cn3nc(-c4cccs4)sc3n2)cc1.
What is the InChIKey of 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is YNIGCLYLGXAIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S2/c1-2-5-10(6-3-1)11-9-17-14(15-11)19-13(16-17)12-7-4-8-18-12/h1-9H.
What are the key properties of 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 283.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 2817054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).