2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

C16H16N2O3S — CID 4017525

IUPAC2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCCOc1ccc(-c2cn3cc(CC(=O)O)sc3n2)c(C)c1
InChIInChI=1S/C16H16N2O3S/c1-3-21-11-4-5-13(10(2)6-11)14-9-18-8-12(7-15(19)20)22-16(18)17-14/h4-6,8-9H,3,7H2,1-2H3,(H,19,20)
InChIKeyDDEFASIGDHWYBQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.40
Rot. Bonds5

About 2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (PubChem CID 4017525) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
PubChem CID4017525
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCCOc1ccc(-c2cn3cc(CC(=O)O)sc3n2)c(C)c1
InChIInChI=1S/C16H16N2O3S/c1-3-21-11-4-5-13(10(2)6-11)14-9-18-8-12(7-15(19)20)22-16(18)17-14/h4-6,8-9H,3,7H2,1-2H3,(H,19,20)
InChIKeyDDEFASIGDHWYBQ-UHFFFAOYSA-N
XLogP3.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3979499
2-[6-(2-ethoxy-5-methyl-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3564336
2-[6-(4-ethoxy-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3652230
2-[6-(4-chloro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3296332
2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3316115
2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4022162
2-(2,4-dimethylphenyl)-6-ethoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209821
2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3977292
6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid
CID 53223705
3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4566367
2-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid
CID 165441542
2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid
CID 3282928

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The IUPAC name of 2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (CID 4017525) is 2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is CCOc1ccc(-c2cn3cc(CC(=O)O)sc3n2)c(C)c1.
What is the InChIKey of 2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The InChIKey is DDEFASIGDHWYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-3-21-11-4-5-13(10(2)6-11)14-9-18-8-12(7-15(19)20)22-16(18)17-14/h4-6,8-9H,3,7H2,1-2H3,(H,19,20).
What are the key properties of 2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid has a molecular weight of 316.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is sourced from PubChem (CID 4017525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).