5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole

C10H6ClN3S — CID 12826650

IUPAC5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(-c2cnc3scnn23)cc1
InChIInChI=1S/C10H6ClN3S/c11-8-3-1-7(2-4-8)9-5-12-10-14(9)13-6-15-10/h1-6H
InChIKeyDESUDXJTZJAMGB-UHFFFAOYSA-N
MW235.70 g/mol
LogP3.11
Rot. Bonds1

About 5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole

5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 12826650) has the molecular formula C10H6ClN3S and a molecular weight of 235.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID12826650
Molecular FormulaC10H6ClN3S
Molecular Weight235.70 g/mol
Exact Mass235.00
IUPAC Name5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(-c2cnc3scnn23)cc1
InChIInChI=1S/C10H6ClN3S/c11-8-3-1-7(2-4-8)9-5-12-10-14(9)13-6-15-10/h1-6H
InChIKeyDESUDXJTZJAMGB-UHFFFAOYSA-N
XLogP3.11
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 12826650) is 5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole is Clc1ccc(-c2cnc3scnn23)cc1.
What is the InChIKey of 5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is DESUDXJTZJAMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3S/c11-8-3-1-7(2-4-8)9-5-12-10-14(9)13-6-15-10/h1-6H.
What are the key properties of 5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 235.70 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 12826650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).