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

C13H10N2O3S — CID 59535530

IUPAC6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1cccc(-c2cn3cc(C(=O)O)sc3n2)c1
InChIInChI=1S/C13H10N2O3S/c1-18-9-4-2-3-8(5-9)10-6-15-7-11(12(16)17)19-13(15)14-10/h2-7H,1H3,(H,16,17)
InChIKeyILHHNRNLAPKPLL-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.77
Rot. Bonds3

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

6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 59535530) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID59535530
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1cccc(-c2cn3cc(C(=O)O)sc3n2)c1
InChIInChI=1S/C13H10N2O3S/c1-18-9-4-2-3-8(5-9)10-6-15-7-11(12(16)17)19-13(15)14-10/h2-7H,1H3,(H,16,17)
InChIKeyILHHNRNLAPKPLL-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

2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159277
2-(3-methoxyphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 63259837
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 36995520
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82479019
2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 98018913
6-(5-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 114080787
2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 9146642
ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 91757014
2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 9122841
N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523651
3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
CID 28750683

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 59535530) is 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is COc1cccc(-c2cn3cc(C(=O)O)sc3n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is ILHHNRNLAPKPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-18-9-4-2-3-8(5-9)10-6-15-7-11(12(16)17)19-13(15)14-10/h2-7H,1H3,(H,16,17).
What are the key properties of 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(3-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 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 59535530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).