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

C13H11N3S — CID 91112134

IUPAC2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cnc3sc(C4CC4)nn23)cc1
InChIInChI=1S/C13H11N3S/c1-2-4-9(5-3-1)11-8-14-13-16(11)15-12(17-13)10-6-7-10/h1-5,8,10H,6-7H2
InChIKeyOHQROAFKPIKBOL-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.34
Rot. Bonds2

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

2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 91112134) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID91112134
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cnc3sc(C4CC4)nn23)cc1
InChIInChI=1S/C13H11N3S/c1-2-4-9(5-3-1)11-8-14-13-16(11)15-12(17-13)10-6-7-10/h1-5,8,10H,6-7H2
InChIKeyOHQROAFKPIKBOL-UHFFFAOYSA-N
XLogP3.34
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 91112134) is 2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole is c1ccc(-c2cnc3sc(C4CC4)nn23)cc1.
What is the InChIKey of 2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is OHQROAFKPIKBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-4-9(5-3-1)11-8-14-13-16(11)15-12(17-13)10-6-7-10/h1-5,8,10H,6-7H2.
What are the key properties of 2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole?
2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 241.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 91112134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).