3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C13H10N2O3S — CID 3338842

IUPAC3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCOc1ccccc1-c1csc2nc(C(=O)O)cn12
InChIInChI=1S/C13H10N2O3S/c1-18-11-5-3-2-4-8(11)10-7-19-13-14-9(12(16)17)6-15(10)13/h2-7H,1H3,(H,16,17)
InChIKeyFIOZIVPVOIUXLX-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.77
Rot. Bonds3

About 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 3338842) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID3338842
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCOc1ccccc1-c1csc2nc(C(=O)O)cn12
InChIInChI=1S/C13H10N2O3S/c1-18-11-5-3-2-4-8(11)10-7-19-13-14-9(12(16)17)6-15(10)13/h2-7H,1H3,(H,16,17)
InChIKeyFIOZIVPVOIUXLX-UHFFFAOYSA-N
XLogP2.77
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3571662
3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4685203
3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4651407
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82479014
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde
CID 82062066
3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4263024
3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3884103
3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4566367
3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3998124
3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4014477
3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 55265116
3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199009

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 3338842) is 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is COc1ccccc1-c1csc2nc(C(=O)O)cn12.
What is the InChIKey of 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is FIOZIVPVOIUXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-18-11-5-3-2-4-8(11)10-7-19-13-14-9(12(16)17)6-15(10)13/h2-7H,1H3,(H,16,17).
What are the key properties of 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 3338842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).