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

C18H20N2O2S — CID 82035392

IUPAC3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCc1nc2sc(C)c(-c3ccc(C)cc3C)n2c1C(=O)O
InChIInChI=1S/C18H20N2O2S/c1-5-6-14-16(17(21)22)20-15(12(4)23-18(20)19-14)13-8-7-10(2)9-11(13)3/h7-9H,5-6H2,1-4H3,(H,21,22)
InChIKeyXTUZEYAKSMPKLY-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.64
Rot. Bonds4

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

3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035392) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035392
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCc1nc2sc(C)c(-c3ccc(C)cc3C)n2c1C(=O)O
InChIInChI=1S/C18H20N2O2S/c1-5-6-14-16(17(21)22)20-15(12(4)23-18(20)19-14)13-8-7-10(2)9-11(13)3/h7-9H,5-6H2,1-4H3,(H,21,22)
InChIKeyXTUZEYAKSMPKLY-UHFFFAOYSA-N
XLogP4.64
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035359
2-ethyl-3-phenyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200447
2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200534
3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035472
2-[3-(2,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062599
2-(4-bromo-2-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 103083519
6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914143
[3-(2,4-dimethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 82061943
2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069390
2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065229

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035392) is 3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCCc1nc2sc(C)c(-c3ccc(C)cc3C)n2c1C(=O)O.
What is the InChIKey of 3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is XTUZEYAKSMPKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-5-6-14-16(17(21)22)20-15(12(4)23-18(20)19-14)13-8-7-10(2)9-11(13)3/h7-9H,5-6H2,1-4H3,(H,21,22).
What are the key properties of 3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 328.44 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).