5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole

C15H17N3S — CID 19209399

IUPAC5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1ccc(-c2nc3sc(C(C)C)nn3c2C)cc1
InChIInChI=1S/C15H17N3S/c1-9(2)14-17-18-11(4)13(16-15(18)19-14)12-7-5-10(3)6-8-12/h5-9H,1-4H3
InChIKeyZZECVICHHXBLOI-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.20
Rot. Bonds2

About 5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole

5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209399) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209399
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1ccc(-c2nc3sc(C(C)C)nn3c2C)cc1
InChIInChI=1S/C15H17N3S/c1-9(2)14-17-18-11(4)13(16-15(18)19-14)12-7-5-10(3)6-8-12/h5-9H,1-4H3
InChIKeyZZECVICHHXBLOI-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 19209399) is 5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole is Cc1ccc(-c2nc3sc(C(C)C)nn3c2C)cc1.
What is the InChIKey of 5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZZECVICHHXBLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-9(2)14-17-18-11(4)13(16-15(18)19-14)12-7-5-10(3)6-8-12/h5-9H,1-4H3.
What are the key properties of 5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 271.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).