3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C13H10N2O3S — CID 82134582

IUPAC3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)sc3nccn23)cc1
InChIInChI=1S/C13H10N2O3S/c1-18-9-4-2-8(3-5-9)10-11(12(16)17)19-13-14-6-7-15(10)13/h2-7H,1H3,(H,16,17)
InChIKeySCIUQUQZIVHPCM-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.77
Rot. Bonds3

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

3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82134582) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82134582
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)sc3nccn23)cc1
InChIInChI=1S/C13H10N2O3S/c1-18-9-4-2-8(3-5-9)10-11(12(16)17)19-13-14-6-7-15(10)13/h2-7H,1H3,(H,16,17)
InChIKeySCIUQUQZIVHPCM-UHFFFAOYSA-N
XLogP2.77
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.77
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
5-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 58962984
6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914171
8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 90487994
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
2-(4-methoxyphenyl)-1-methyl-4-phenylpyrrole-3-carboxylic acid
CID 3730701
2-[3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 94698491
3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid
CID 159115802
2-ethyl-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226862
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
5-(4-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983912
5-(4-methoxyphenyl)-1-methyl-2-methylsulfanylimidazole-4-carboxylic acid
CID 117224932

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82134582) is 3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is COc1ccc(-c2c(C(=O)O)sc3nccn23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is SCIUQUQZIVHPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-18-9-4-2-8(3-5-9)10-11(12(16)17)19-13-14-6-7-15(10)13/h2-7H,1H3,(H,16,17).
What are the key properties of 3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82134582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).