2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C22H20N2O2S — CID 39200734

IUPAC2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1sc2nc(-c3ccccc3)c(C(=O)O)n2c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H20N2O2S/c1-13(2)15-9-11-17(12-10-15)19-14(3)27-22-23-18(16-7-5-4-6-8-16)20(21(25)26)24(19)22/h4-13H,1-3H3,(H,25,26)
InChIKeyJWEMIODZQIQSCN-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.86
Rot. Bonds4

About 2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 39200734) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID39200734
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1sc2nc(-c3ccccc3)c(C(=O)O)n2c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H20N2O2S/c1-13(2)15-9-11-17(12-10-15)19-14(3)27-22-23-18(16-7-5-4-6-8-16)20(21(25)26)24(19)22/h4-13H,1-3H3,(H,25,26)
InChIKeyJWEMIODZQIQSCN-UHFFFAOYSA-N
XLogP5.86
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 39200734) is 2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is Cc1sc2nc(-c3ccccc3)c(C(=O)O)n2c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is JWEMIODZQIQSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-13(2)15-9-11-17(12-10-15)19-14(3)27-22-23-18(16-7-5-4-6-8-16)20(21(25)26)24(19)22/h4-13H,1-3H3,(H,25,26).
What are the key properties of 2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 376.48 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 39200734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).