3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C17H18N2O3S — CID 75357349

IUPAC3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1c(-c2ccc(OC(C)C)cc2)nc2sc(C(=O)O)c(C)n12
InChIInChI=1S/C17H18N2O3S/c1-9(2)22-13-7-5-12(6-8-13)14-10(3)19-11(4)15(16(20)21)23-17(19)18-14/h5-9H,1-4H3,(H,20,21)
InChIKeyJATUOFCGUKMMMD-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.17
Rot. Bonds4

About 3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 75357349) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID75357349
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1c(-c2ccc(OC(C)C)cc2)nc2sc(C(=O)O)c(C)n12
InChIInChI=1S/C17H18N2O3S/c1-9(2)22-13-7-5-12(6-8-13)14-10(3)19-11(4)15(16(20)21)23-17(19)18-14/h5-9H,1-4H3,(H,20,21)
InChIKeyJATUOFCGUKMMMD-UHFFFAOYSA-N
XLogP4.17
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035630
3,5-diethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035646
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635
6-(3,4-dimethoxyphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035666
3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227751
6-(4-ethylphenyl)-5-methyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227732
[2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197050
3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200633
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803
2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035633
3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid
CID 82483342
1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid
CID 43324425

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 75357349) is 3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is Cc1c(-c2ccc(OC(C)C)cc2)nc2sc(C(=O)O)c(C)n12.
What is the InChIKey of 3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is JATUOFCGUKMMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-9(2)22-13-7-5-12(6-8-13)14-10(3)19-11(4)15(16(20)21)23-17(19)18-14/h5-9H,1-4H3,(H,20,21).
What are the key properties of 3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 330.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 75357349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).