3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C14H12N2O3S — CID 82061970

IUPAC3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2csc3ncc(C(=O)O)n23)cc1C
InChIInChI=1S/C14H12N2O3S/c1-8-5-9(3-4-12(8)19-2)11-7-20-14-15-6-10(13(17)18)16(11)14/h3-7H,1-2H3,(H,17,18)
InChIKeyISDFZPOWCGHHJO-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.08
Rot. Bonds3

About 3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82061970) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82061970
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2csc3ncc(C(=O)O)n23)cc1C
InChIInChI=1S/C14H12N2O3S/c1-8-5-9(3-4-12(8)19-2)11-7-20-14-15-6-10(13(17)18)16(11)14/h3-7H,1-2H3,(H,17,18)
InChIKeyISDFZPOWCGHHJO-UHFFFAOYSA-N
XLogP3.08
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82062120
3-(4-methoxy-3-methylphenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198880
methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 54109387
2-[6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210519
2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223255
(E)-3-[6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 39196340
N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248616
3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199074
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248650
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol
CID 116889737
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82061970) is 3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is COc1ccc(-c2csc3ncc(C(=O)O)n23)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is ISDFZPOWCGHHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-8-5-9(3-4-12(8)19-2)11-7-20-14-15-6-10(13(17)18)16(11)14/h3-7H,1-2H3,(H,17,18).
What are the key properties of 3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82061970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).