6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole

C15H17N3S — CID 106260373

IUPAC6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)Cc1nn2cc(Cc3ccccc3)nc2s1
InChIInChI=1S/C15H17N3S/c1-11(2)8-14-17-18-10-13(16-15(18)19-14)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyXEWCQKRXBWUISO-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.58
Rot. Bonds4

About 6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole

6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 106260373) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID106260373
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)Cc1nn2cc(Cc3ccccc3)nc2s1
InChIInChI=1S/C15H17N3S/c1-11(2)8-14-17-18-10-13(16-15(18)19-14)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyXEWCQKRXBWUISO-UHFFFAOYSA-N
XLogP3.58
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 106260110
6-benzylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646828
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 106260209
2-(2-methylpropyl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198060
6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 70976615
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 156597738
2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219326
[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-phenylsulfanylacetate
CID 20946398
7-hydroxy-2-(2-methylpropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 135403913
6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 123292439
[2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 82478593
3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol
CID 133400215

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 106260373) is 6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole is CC(C)Cc1nn2cc(Cc3ccccc3)nc2s1.
What is the InChIKey of 6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is XEWCQKRXBWUISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-11(2)8-14-17-18-10-13(16-15(18)19-14)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 271.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 106260373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).