6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C19H14N2O3S — CID 82035849

IUPAC6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1ccccc1-c1cn2c(-c3ccccc3)c(C(=O)O)sc2n1
InChIInChI=1S/C19H14N2O3S/c1-24-15-10-6-5-9-13(15)14-11-21-16(12-7-3-2-4-8-12)17(18(22)23)25-19(21)20-14/h2-11H,1H3,(H,22,23)
InChIKeyYNQYIZJFWRJNBO-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.44
Rot. Bonds4

About 6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035849) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035849
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1ccccc1-c1cn2c(-c3ccccc3)c(C(=O)O)sc2n1
InChIInChI=1S/C19H14N2O3S/c1-24-15-10-6-5-9-13(15)14-11-21-16(12-7-3-2-4-8-12)17(18(22)23)25-19(21)20-14/h2-11H,1H3,(H,22,23)
InChIKeyYNQYIZJFWRJNBO-UHFFFAOYSA-N
XLogP4.44
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035856
3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227759
3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035233
6-(3,4-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914193
6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
CID 75539389
6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035502
3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82134582
[2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364610
2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276870
2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209536
6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209658
6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914171

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035849) is 6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is COc1ccccc1-c1cn2c(-c3ccccc3)c(C(=O)O)sc2n1.
What is the InChIKey of 6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is YNQYIZJFWRJNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c1-24-15-10-6-5-9-13(15)14-11-21-16(12-7-3-2-4-8-12)17(18(22)23)25-19(21)20-14/h2-11H,1H3,(H,22,23).
What are the key properties of 6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 350.40 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).