ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate

C14H11BrN2O2S — CID 91757030

IUPACethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1csc2nc(-c3cccc(Br)c3)cn12
InChIInChI=1S/C14H11BrN2O2S/c1-2-19-13(18)12-8-20-14-16-11(7-17(12)14)9-4-3-5-10(15)6-9/h3-8H,2H2,1H3
InChIKeySWEMMRSROZSPTK-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.00
Rot. Bonds3

About ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate

ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (PubChem CID 91757030) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
PubChem CID91757030
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Nameethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1csc2nc(-c3cccc(Br)c3)cn12
InChIInChI=1S/C14H11BrN2O2S/c1-2-19-13(18)12-8-20-14-16-11(7-17(12)14)9-4-3-5-10(15)6-9/h3-8H,2H2,1H3
InChIKeySWEMMRSROZSPTK-UHFFFAOYSA-N
XLogP4.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 91757014
6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 90478004
ethyl 2-(3-bromophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate
CID 166039163
ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 170609686
ethyl 6-[4-[(2-chloroacetyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192449
ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192457
ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 43464947
ethyl 5-amino-2-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 122508668
ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
CID 42271723
ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
CID 42271685
N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53036901
ethyl 5-(3-bromophenyl)-1-methylpyrazole-3-carboxylate
CID 57428257

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The IUPAC name of ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (CID 91757030) is ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate.
What is the SMILES notation for ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The canonical SMILES for ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate is CCOC(=O)c1csc2nc(-c3cccc(Br)c3)cn12.
What is the InChIKey of ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The InChIKey is SWEMMRSROZSPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-2-19-13(18)12-8-20-14-16-11(7-17(12)14)9-4-3-5-10(15)6-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate?
ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate has a molecular weight of 351.23 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate is sourced from PubChem (CID 91757030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).