6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C14H11BrN2O2S — CID 82035256

IUPAC6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1c(C(=O)O)sc2nc(-c3ccc(Br)cc3)cn12
InChIInChI=1S/C14H11BrN2O2S/c1-2-11-12(13(18)19)20-14-16-10(7-17(11)14)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H,18,19)
InChIKeyKDKTUJJWQRXYPB-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.09
Rot. Bonds3

About 6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035256) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035256
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1c(C(=O)O)sc2nc(-c3ccc(Br)cc3)cn12
InChIInChI=1S/C14H11BrN2O2S/c1-2-11-12(13(18)19)20-14-16-10(7-17(11)14)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H,18,19)
InChIKeyKDKTUJJWQRXYPB-UHFFFAOYSA-N
XLogP4.09
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914171
methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224550
3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227759
3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035737
3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 1180418
6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035531
6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200580
methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224558
methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224554
6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 703338
6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035586
3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035811

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035256) is 6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCc1c(C(=O)O)sc2nc(-c3ccc(Br)cc3)cn12.
What is the InChIKey of 6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is KDKTUJJWQRXYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-2-11-12(13(18)19)20-14-16-10(7-17(11)14)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H,18,19).
What are the key properties of 6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 351.23 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).