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

C15H17N3S — CID 9122836

IUPAC6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCc1nn2cc(-c3ccc(C)c(C)c3)nc2s1
InChIInChI=1S/C15H17N3S/c1-4-5-14-17-18-9-13(16-15(18)19-14)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3
InChIKeyQMJAQSRKWCSLKL-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.03
Rot. Bonds3

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

6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 9122836) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID9122836
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCc1nn2cc(-c3ccc(C)c(C)c3)nc2s1
InChIInChI=1S/C15H17N3S/c1-4-5-14-17-18-9-13(16-15(18)19-14)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3
InChIKeyQMJAQSRKWCSLKL-UHFFFAOYSA-N
XLogP4.03
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.03
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-propylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole (CID 9122836) is 6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole is CCCc1nn2cc(-c3ccc(C)c(C)c3)nc2s1.
What is the InChIKey of 6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is QMJAQSRKWCSLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-4-5-14-17-18-9-13(16-15(18)19-14)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3.
What are the key properties of 6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole?
6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 271.39 g/mol, XLogP of 4.03, 3 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-propylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 9122836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).