2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

C20H16N2O3S — CID 82035856

IUPAC2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCOc1ccccc1-c1cn2c(-c3ccccc3)c(CC(=O)O)sc2n1
InChIInChI=1S/C20H16N2O3S/c1-25-16-10-6-5-9-14(16)15-12-22-19(13-7-3-2-4-8-13)17(11-18(23)24)26-20(22)21-15/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyQEAMHAMTAGDNOP-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.37
Rot. Bonds5

About 2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (PubChem CID 82035856) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
PubChem CID82035856
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCOc1ccccc1-c1cn2c(-c3ccccc3)c(CC(=O)O)sc2n1
InChIInChI=1S/C20H16N2O3S/c1-25-16-10-6-5-9-14(16)15-12-22-19(13-7-3-2-4-8-13)17(11-18(23)24)26-20(22)21-15/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyQEAMHAMTAGDNOP-UHFFFAOYSA-N
XLogP4.37
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035849
2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
CID 82035386
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39362994
2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035820
[2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364610
2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209536
3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 1180418
2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 39362974
6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209658
2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608421
2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4022162

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The IUPAC name of 2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (CID 82035856) is 2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is COc1ccccc1-c1cn2c(-c3ccccc3)c(CC(=O)O)sc2n1.
What is the InChIKey of 2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The InChIKey is QEAMHAMTAGDNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-25-16-10-6-5-9-14(16)15-12-22-19(13-7-3-2-4-8-13)17(11-18(23)24)26-20(22)21-15/h2-10,12H,11H2,1H3,(H,23,24).
What are the key properties of 2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid has a molecular weight of 364.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is sourced from PubChem (CID 82035856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).