2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole

C17H12ClN3S — CID 118714319

IUPAC2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(-c2cn3nc(Cc4ccccc4)sc3n2)cc1
InChIInChI=1S/C17H12ClN3S/c18-14-8-6-13(7-9-14)15-11-21-17(19-15)22-16(20-21)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyDDEXZELLJOMKGH-UHFFFAOYSA-N
MW325.82 g/mol
LogP4.70
Rot. Bonds3

About 2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole

2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 118714319) has the molecular formula C17H12ClN3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID118714319
Molecular FormulaC17H12ClN3S
Molecular Weight325.82 g/mol
Exact Mass325.04
IUPAC Name2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(-c2cn3nc(Cc4ccccc4)sc3n2)cc1
InChIInChI=1S/C17H12ClN3S/c18-14-8-6-13(7-9-14)15-11-21-17(19-15)22-16(20-21)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyDDEXZELLJOMKGH-UHFFFAOYSA-N
XLogP4.70
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 118714319) is 2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole is Clc1ccc(-c2cn3nc(Cc4ccccc4)sc3n2)cc1.
What is the InChIKey of 2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is DDEXZELLJOMKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3S/c18-14-8-6-13(7-9-14)15-11-21-17(19-15)22-16(20-21)10-12-4-2-1-3-5-12/h1-9,11H,10H2.
What are the key properties of 2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 325.82 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 118714319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).