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

C16H10ClN3S — CID 586520

IUPAC6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(-c2cn3nc(-c4ccccc4)sc3n2)cc1
InChIInChI=1S/C16H10ClN3S/c17-13-8-6-11(7-9-13)14-10-20-16(18-14)21-15(19-20)12-4-2-1-3-5-12/h1-10H
InChIKeyIJGRPRIWZOLJDN-UHFFFAOYSA-N
MW311.80 g/mol
LogP4.78
Rot. Bonds2

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

6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 586520) has the molecular formula C16H10ClN3S and a molecular weight of 311.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID586520
Molecular FormulaC16H10ClN3S
Molecular Weight311.80 g/mol
Exact Mass311.03
IUPAC Name6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(-c2cn3nc(-c4ccccc4)sc3n2)cc1
InChIInChI=1S/C16H10ClN3S/c17-13-8-6-11(7-9-13)14-10-20-16(18-14)21-15(19-20)12-4-2-1-3-5-12/h1-10H
InChIKeyIJGRPRIWZOLJDN-UHFFFAOYSA-N
XLogP4.78
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 586520) is 6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole is Clc1ccc(-c2cn3nc(-c4ccccc4)sc3n2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is IJGRPRIWZOLJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3S/c17-13-8-6-11(7-9-13)14-10-20-16(18-14)21-15(19-20)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole?
6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 311.80 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 586520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).