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

C19H22N2O3S — CID 82035633

IUPAC2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCc1nc2sc(C)c(-c3ccc(OC(C)C)cc3)n2c1C(=O)O
InChIInChI=1S/C19H22N2O3S/c1-5-6-15-17(18(22)23)21-16(12(4)25-19(21)20-15)13-7-9-14(10-8-13)24-11(2)3/h7-11H,5-6H2,1-4H3,(H,22,23)
InChIKeyQTOSFLQBKHQZJQ-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.81
Rot. Bonds6

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

2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035633) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035633
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCc1nc2sc(C)c(-c3ccc(OC(C)C)cc3)n2c1C(=O)O
InChIInChI=1S/C19H22N2O3S/c1-5-6-15-17(18(22)23)21-16(12(4)25-19(21)20-15)13-7-9-14(10-8-13)24-11(2)3/h7-11H,5-6H2,1-4H3,(H,22,23)
InChIKeyQTOSFLQBKHQZJQ-UHFFFAOYSA-N
XLogP4.81
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-3-phenyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200447
5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035630
3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035582
3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 75357349
2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200734
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803
3,5-diethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035646
3-(4-tert-butylphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035482
5-bromo-3-methyl-2-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid
CID 84611817
3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035359
[2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197050
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 28941882

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035633) is 2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCCc1nc2sc(C)c(-c3ccc(OC(C)C)cc3)n2c1C(=O)O.
What is the InChIKey of 2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is QTOSFLQBKHQZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-5-6-15-17(18(22)23)21-16(12(4)25-19(21)20-15)13-7-9-14(10-8-13)24-11(2)3/h7-11H,5-6H2,1-4H3,(H,22,23).
What are the key properties of 2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 358.46 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).