6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C18H20N2O2S — CID 82227755

IUPAC6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1ccc(-c2cn3c(CC(C)C)c(C(=O)O)sc3n2)c(C)c1
InChIInChI=1S/C18H20N2O2S/c1-10(2)7-15-16(17(21)22)23-18-19-14(9-20(15)18)13-6-5-11(3)8-12(13)4/h5-6,8-10H,7H2,1-4H3,(H,21,22)
InChIKeyIRTFSBQSMJDVTO-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.58
Rot. Bonds4

About 6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82227755) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82227755
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1ccc(-c2cn3c(CC(C)C)c(C(=O)O)sc3n2)c(C)c1
InChIInChI=1S/C18H20N2O2S/c1-10(2)7-15-16(17(21)22)23-18-19-14(9-20(15)18)13-6-5-11(3)8-12(13)4/h5-6,8-10H,7H2,1-4H3,(H,21,22)
InChIKeyIRTFSBQSMJDVTO-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360497
6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914143
6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200580
2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid
CID 82294212
2-(2,4-dimethylphenyl)-6-ethoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209821
2-(2,4-dimethylphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523855
3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid
CID 82300508
6-(2,4-dichloro-5-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 81495404
(Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid
CID 19010591
6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 82294357
2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360469
3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227759

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82227755) is 6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is Cc1ccc(-c2cn3c(CC(C)C)c(C(=O)O)sc3n2)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is IRTFSBQSMJDVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-10(2)7-15-16(17(21)22)23-18-19-14(9-20(15)18)13-6-5-11(3)8-12(13)4/h5-6,8-10H,7H2,1-4H3,(H,21,22).
What are the key properties of 6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 328.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82227755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).