3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C17H16Cl2N2O2S — CID 82035359

IUPAC3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCc1nc2sc(CC)c(-c3ccc(Cl)cc3Cl)n2c1C(=O)O
InChIInChI=1S/C17H16Cl2N2O2S/c1-3-5-12-15(16(22)23)21-14(13(4-2)24-17(21)20-12)10-7-6-9(18)8-11(10)19/h6-8H,3-5H2,1-2H3,(H,22,23)
InChIKeyBKSHEIDKJLGCLA-UHFFFAOYSA-N
MW383.30 g/mol
LogP5.58
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035359) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035359
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC Name3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCc1nc2sc(CC)c(-c3ccc(Cl)cc3Cl)n2c1C(=O)O
InChIInChI=1S/C17H16Cl2N2O2S/c1-3-5-12-15(16(22)23)21-14(13(4-2)24-17(21)20-12)10-7-6-9(18)8-11(10)19/h6-8H,3-5H2,1-2H3,(H,22,23)
InChIKeyBKSHEIDKJLGCLA-UHFFFAOYSA-N
XLogP5.58
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.30
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035392
3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035290
[2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432702
2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 79022456
2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035633
3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035351
2-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360505
4-(2,4-dichlorophenyl)-5-ethyl-1,3-thiazol-2-amine
CID 28864557
[2-(4-chloro-2-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 122476710
5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 133088231
1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-ethyl-2-methylpyrrole-3-carboxylic acid
CID 173206138
3-(2,4-dichlorophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761141

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035359) is 3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCCc1nc2sc(CC)c(-c3ccc(Cl)cc3Cl)n2c1C(=O)O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is BKSHEIDKJLGCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c1-3-5-12-15(16(22)23)21-14(13(4-2)24-17(21)20-12)10-7-6-9(18)8-11(10)19/h6-8H,3-5H2,1-2H3,(H,22,23).
What are the key properties of 3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 383.30 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).