6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole

C15H17N3S — CID 19209833

IUPAC6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2c(C)c(-c3ccc(C)c(C)c3)nc2s1
InChIInChI=1S/C15H17N3S/c1-5-13-17-18-11(4)14(16-15(18)19-13)12-7-6-9(2)10(3)8-12/h6-8H,5H2,1-4H3
InChIKeyVZJWGIMRJYDTAC-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.95
Rot. Bonds2

About 6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole

6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209833) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209833
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2c(C)c(-c3ccc(C)c(C)c3)nc2s1
InChIInChI=1S/C15H17N3S/c1-5-13-17-18-11(4)14(16-15(18)19-13)12-7-6-9(2)10(3)8-12/h6-8H,5H2,1-4H3
InChIKeyVZJWGIMRJYDTAC-UHFFFAOYSA-N
XLogP3.95
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 19209833) is 6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole is CCc1nn2c(C)c(-c3ccc(C)c(C)c3)nc2s1.
What is the InChIKey of 6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is VZJWGIMRJYDTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-5-13-17-18-11(4)14(16-15(18)19-13)12-7-6-9(2)10(3)8-12/h6-8H,5H2,1-4H3.
What are the key properties of 6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 271.39 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).