6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole

C18H15N3S — CID 69394635

IUPAC6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1ccc(-c2ccc(-c3cn4ncsc4n3)cc2)cc1C
InChIInChI=1S/C18H15N3S/c1-12-3-4-16(9-13(12)2)14-5-7-15(8-6-14)17-10-21-18(20-17)22-11-19-21/h3-11H,1-2H3
InChIKeyLSWLMYIOCYICMC-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.74
Rot. Bonds2

About 6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole

6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 69394635) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID69394635
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1ccc(-c2ccc(-c3cn4ncsc4n3)cc2)cc1C
InChIInChI=1S/C18H15N3S/c1-12-3-4-16(9-13(12)2)14-5-7-15(8-6-14)17-10-21-18(20-17)22-11-19-21/h3-11H,1-2H3
InChIKeyLSWLMYIOCYICMC-UHFFFAOYSA-N
XLogP4.74
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole (CID 69394635) is 6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole is Cc1ccc(-c2ccc(-c3cn4ncsc4n3)cc2)cc1C.
What is the InChIKey of 6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is LSWLMYIOCYICMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-12-3-4-16(9-13(12)2)14-5-7-15(8-6-14)17-10-21-18(20-17)22-11-19-21/h3-11H,1-2H3.
What are the key properties of 6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 305.41 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 69394635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).