3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C15H14N2O3S — CID 4566367

IUPAC3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCOc1ccc(-c2csc3nc(C(=O)O)cn23)c(C)c1
InChIInChI=1S/C15H14N2O3S/c1-3-20-10-4-5-11(9(2)6-10)13-8-21-15-16-12(14(18)19)7-17(13)15/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyHWFFZWNNYYQVOL-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.47
Rot. Bonds4

About 3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 4566367) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID4566367
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCOc1ccc(-c2csc3nc(C(=O)O)cn23)c(C)c1
InChIInChI=1S/C15H14N2O3S/c1-3-20-10-4-5-11(9(2)6-10)13-8-21-15-16-12(14(18)19)7-17(13)15/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyHWFFZWNNYYQVOL-UHFFFAOYSA-N
XLogP3.47
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4263024
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]thiazole-6-carboxylic acid
CID 3338842
3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3884103
6-ethoxy-4-methylquinoline-2-carboxylic acid
CID 82574771
6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid
CID 53223705
2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4017525
3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3918771
6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole
CID 82061936
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 4566367) is 3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CCOc1ccc(-c2csc3nc(C(=O)O)cn23)c(C)c1.
What is the InChIKey of 3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is HWFFZWNNYYQVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-3-20-10-4-5-11(9(2)6-10)13-8-21-15-16-12(14(18)19)7-17(13)15/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 4566367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).