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

C19H22N2O3S — CID 82035630

IUPAC5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCCc1c(C(=O)O)sc2nc(-c3ccc(OC(C)C)cc3)c(C)n12
InChIInChI=1S/C19H22N2O3S/c1-5-6-15-17(18(22)23)25-19-20-16(12(4)21(15)19)13-7-9-14(10-8-13)24-11(2)3/h7-11H,5-6H2,1-4H3,(H,22,23)
InChIKeyDRPCFGVYOULQFX-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.81
Rot. Bonds6

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

5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035630) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035630
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCCc1c(C(=O)O)sc2nc(-c3ccc(OC(C)C)cc3)c(C)n12
InChIInChI=1S/C19H22N2O3S/c1-5-6-15-17(18(22)23)25-19-20-16(12(4)21(15)19)13-7-9-14(10-8-13)24-11(2)3/h7-11H,5-6H2,1-4H3,(H,22,23)
InChIKeyDRPCFGVYOULQFX-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

3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 75357349
3,5-diethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035646
6-(4-methoxy-3-methylphenyl)-5-methyl-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035494
3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200633
[2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197050
2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035633
5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035773
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635
6-(4-ethylphenyl)-5-methyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227732
3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227751
6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914171
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035630) is 5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCCc1c(C(=O)O)sc2nc(-c3ccc(OC(C)C)cc3)c(C)n12.
What is the InChIKey of 5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is DRPCFGVYOULQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-5-6-15-17(18(22)23)25-19-20-16(12(4)21(15)19)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 5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-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 5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).