ethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate

C8H7BrN2O2S — CID 12744614

IUPACethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCCOC(=O)c1cn2cc(Br)sc2n1
InChIInChI=1S/C8H7BrN2O2S/c1-2-13-7(12)5-3-11-4-6(9)14-8(11)10-5/h3-4H,2H2,1H3
InChIKeyAMWIMQLEHJSRIR-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.34
Rot. Bonds2

About ethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate

ethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate (PubChem CID 12744614) has the molecular formula C8H7BrN2O2S and a molecular weight of 275.13 g/mol. Its IUPAC name is ethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate
PubChem CID12744614
Molecular FormulaC8H7BrN2O2S
Molecular Weight275.13 g/mol
Exact Mass273.94
IUPAC Nameethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCCOC(=O)c1cn2cc(Br)sc2n1
InChIInChI=1S/C8H7BrN2O2S/c1-2-13-7(12)5-3-11-4-6(9)14-8(11)10-5/h3-4H,2H2,1H3
InChIKeyAMWIMQLEHJSRIR-UHFFFAOYSA-N
XLogP2.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 2759354
Ethyl 6-methylimidazo[2,1-b]thiazole-5-carboxylate
CID 671011
Imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 52983818
2,3-Dimethylimidazo(2,1-b)(1,3)thiazole-5-carboxylic acid
CID 21256477
2-Methylimidazo(2,1-b)(1,3)thiazole-6-carboxylic acid
CID 28950220
2-Methylimidazo(2,1-b)(1,3)thiazole-5-carboxylic acid
CID 57437141
5-Bromoimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 58379309
2-Bromoimidazo(4,3-b)(1,3)thiazole-7-carboxylic acid
CID 59168404
Methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115384484
Methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 75481843
Methyl 5-formyl-6-methylimidazo(2,1-b)(1,3)thiazole-2-carboxylate
CID 132398771
2-Methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid hydrobromide
CID 134690901

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The IUPAC name of ethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate (CID 12744614) is ethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate.
What is the SMILES notation for ethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The canonical SMILES for ethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate is CCOC(=O)c1cn2cc(Br)sc2n1.
What is the InChIKey of ethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The InChIKey is AMWIMQLEHJSRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2S/c1-2-13-7(12)5-3-11-4-6(9)14-8(11)10-5/h3-4H,2H2,1H3.
What are the key properties of ethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate?
ethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate has a molecular weight of 275.13 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromoimidazo[2,1-b][1,3]thiazole-6-carboxylate is sourced from PubChem (CID 12744614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).