6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole

C16H12ClN3S — CID 101248028

IUPAC6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(C2CN3N=C(c4ccccc4)SC3=N2)cc1
InChIInChI=1S/C16H12ClN3S/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/h1-9,14H,10H2
InChIKeyCQYWMEQEDJAOTB-UHFFFAOYSA-N
MW313.81 g/mol
LogP4.16
Rot. Bonds2

About 6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole

6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 101248028) has the molecular formula C16H12ClN3S and a molecular weight of 313.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID101248028
Molecular FormulaC16H12ClN3S
Molecular Weight313.81 g/mol
Exact Mass313.04
IUPAC Name6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(C2CN3N=C(c4ccccc4)SC3=N2)cc1
InChIInChI=1S/C16H12ClN3S/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/h1-9,14H,10H2
InChIKeyCQYWMEQEDJAOTB-UHFFFAOYSA-N
XLogP4.16
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 54.16
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-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole (CID 101248028) is 6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole is Clc1ccc(C2CN3N=C(c4ccccc4)SC3=N2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CQYWMEQEDJAOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3S/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/h1-9,14H,10H2.
What are the key properties of 6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole?
6-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 313.81 g/mol, XLogP of 4.16, 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-phenyl-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 101248028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).