6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole

C15H14BrN3S — CID 115335311

IUPAC6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESBrc1ccccc1C1(Cc2cn3ccsc3n2)CNC1
InChIInChI=1S/C15H14BrN3S/c16-13-4-2-1-3-12(13)15(9-17-10-15)7-11-8-19-5-6-20-14(19)18-11/h1-6,8,17H,7,9-10H2
InChIKeyJANZKXSEGAUONF-UHFFFAOYSA-N
MW348.27 g/mol
LogP3.24
Rot. Bonds3

About 6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole

6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115335311) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is 6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115335311
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC Name6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESBrc1ccccc1C1(Cc2cn3ccsc3n2)CNC1
InChIInChI=1S/C15H14BrN3S/c16-13-4-2-1-3-12(13)15(9-17-10-15)7-11-8-19-5-6-20-14(19)18-11/h1-6,8,17H,7,9-10H2
InChIKeyJANZKXSEGAUONF-UHFFFAOYSA-N
XLogP3.24
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 115335300
6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115335298
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-ol
CID 115332763
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 115335109
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332722
1-(2-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-2-amine
CID 115333611
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 115334204
2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine
CID 115334298
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
6-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 115334582
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961108

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 115335311) is 6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole is Brc1ccccc1C1(Cc2cn3ccsc3n2)CNC1.
What is the InChIKey of 6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is JANZKXSEGAUONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S/c16-13-4-2-1-3-12(13)15(9-17-10-15)7-11-8-19-5-6-20-14(19)18-11/h1-6,8,17H,7,9-10H2.
What are the key properties of 6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 348.27 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115335311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).