3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C14H12N2O4S — CID 3571662

IUPAC3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCOc1ccc(OC)c(-c2csc3nc(C(=O)O)cn23)c1
InChIInChI=1S/C14H12N2O4S/c1-19-8-3-4-12(20-2)9(5-8)11-7-21-14-15-10(13(17)18)6-16(11)14/h3-7H,1-2H3,(H,17,18)
InChIKeyGMAOYQSIMKCMNM-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.78
Rot. Bonds4

About 3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 3571662) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID3571662
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCOc1ccc(OC)c(-c2csc3nc(C(=O)O)cn23)c1
InChIInChI=1S/C14H12N2O4S/c1-19-8-3-4-12(20-2)9(5-8)11-7-21-14-15-10(13(17)18)6-16(11)14/h3-7H,1-2H3,(H,17,18)
InChIKeyGMAOYQSIMKCMNM-UHFFFAOYSA-N
XLogP2.78
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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]thiazole-6-carboxylic acid
CID 3338842
3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4685203
3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4566367
3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4263024
6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 42878553
3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3998124
3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199016
3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 55265116
[3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 98020701
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 3571662) is 3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is COc1ccc(OC)c(-c2csc3nc(C(=O)O)cn23)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is GMAOYQSIMKCMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-19-8-3-4-12(20-2)9(5-8)11-7-21-14-15-10(13(17)18)6-16(11)14/h3-7H,1-2H3,(H,17,18).
What are the key properties of 3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 304.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 3571662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).