6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C15H14N2O3S — CID 82035502

IUPAC6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)cc1C
InChIInChI=1S/C15H14N2O3S/c1-8-6-10(4-5-12(8)20-3)11-7-17-9(2)13(14(18)19)21-15(17)16-11/h4-7H,1-3H3,(H,18,19)
InChIKeyWJFPGMXKFGYINM-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.39
Rot. Bonds3

About 6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035502) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035502
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)cc1C
InChIInChI=1S/C15H14N2O3S/c1-8-6-10(4-5-12(8)20-3)11-7-17-9(2)13(14(18)19)21-15(17)16-11/h4-7H,1-3H3,(H,18,19)
InChIKeyWJFPGMXKFGYINM-UHFFFAOYSA-N
XLogP3.39
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914193
6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035505
6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
CID 75539374
6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200580
N-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861750
2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid
CID 82030723
methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224554
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
1-[3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224511
6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031572
3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 55250632
6-(4-methoxy-3-methylphenyl)-5-methyl-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035494

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035502) is 6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is COc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)cc1C.
What is the InChIKey of 6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is WJFPGMXKFGYINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-8-6-10(4-5-12(8)20-3)11-7-17-9(2)13(14(18)19)21-15(17)16-11/h4-7H,1-3H3,(H,18,19).
What are the key properties of 6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).