2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole

C18H13BrN2S — CID 15991413

IUPAC2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole
SMILESBrc1ccc(-c2cn3cc(Cc4ccccc4)sc3n2)cc1
InChIInChI=1S/C18H13BrN2S/c19-15-8-6-14(7-9-15)17-12-21-11-16(22-18(21)20-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2
InChIKeyVPSJKEKUEYVGLG-UHFFFAOYSA-N
MW369.29 g/mol
LogP5.42
Rot. Bonds3

About 2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole

2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 15991413) has the molecular formula C18H13BrN2S and a molecular weight of 369.29 g/mol. Its IUPAC name is 2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID15991413
Molecular FormulaC18H13BrN2S
Molecular Weight369.29 g/mol
Exact Mass368.00
IUPAC Name2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole
SMILESBrc1ccc(-c2cn3cc(Cc4ccccc4)sc3n2)cc1
InChIInChI=1S/C18H13BrN2S/c19-15-8-6-14(7-9-15)17-12-21-11-16(22-18(21)20-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2
InChIKeyVPSJKEKUEYVGLG-UHFFFAOYSA-N
XLogP5.42
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.29
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole (CID 15991413) is 2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole is Brc1ccc(-c2cn3cc(Cc4ccccc4)sc3n2)cc1.
What is the InChIKey of 2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is VPSJKEKUEYVGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2S/c19-15-8-6-14(7-9-15)17-12-21-11-16(22-18(21)20-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2.
What are the key properties of 2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole?
2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 369.29 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 15991413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).