3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide

C15H19BrN2S — CID 23723158

IUPAC3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.CC(C)Cc1ccc(C2=CSC3=NCCN23)cc1
InChIInChI=1S/C15H18N2S.BrH/c1-11(2)9-12-3-5-13(6-4-12)14-10-18-15-16-7-8-17(14)15;/h3-6,10-11H,7-9H2,1-2H3;1H
InChIKeyZGJVAYUFYPQJHZ-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.18
Rot. Bonds3

About 3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide

3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 23723158) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID23723158
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.CC(C)Cc1ccc(C2=CSC3=NCCN23)cc1
InChIInChI=1S/C15H18N2S.BrH/c1-11(2)9-12-3-5-13(6-4-12)14-10-18-15-16-7-8-17(14)15;/h3-6,10-11H,7-9H2,1-2H3;1H
InChIKeyZGJVAYUFYPQJHZ-UHFFFAOYSA-N
XLogP4.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The IUPAC name of 3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (CID 23723158) is 3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for 3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for 3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is Br.CC(C)Cc1ccc(C2=CSC3=NCCN23)cc1.
What is the InChIKey of 3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is ZGJVAYUFYPQJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S.BrH/c1-11(2)9-12-3-5-13(6-4-12)14-10-18-15-16-7-8-17(14)15;/h3-6,10-11H,7-9H2,1-2H3;1H.
What are the key properties of 3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 339.30 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is sourced from PubChem (CID 23723158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).