3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C17H16N2O3S — CID 82227751

IUPAC3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1ccc(-c2nc3sc(C(=O)O)c(C4CC4)n3c2C)cc1
InChIInChI=1S/C17H16N2O3S/c1-9-13(10-5-7-12(22-2)8-6-10)18-17-19(9)14(11-3-4-11)15(23-17)16(20)21/h5-8,11H,3-4H2,1-2H3,(H,20,21)
InChIKeyYSXDBPXTEDFRJG-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.96
Rot. Bonds4

About 3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82227751) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82227751
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1ccc(-c2nc3sc(C(=O)O)c(C4CC4)n3c2C)cc1
InChIInChI=1S/C17H16N2O3S/c1-9-13(10-5-7-12(22-2)8-6-10)18-17-19(9)14(11-3-4-11)15(23-17)16(20)21/h5-8,11H,3-4H2,1-2H3,(H,20,21)
InChIKeyYSXDBPXTEDFRJG-UHFFFAOYSA-N
XLogP3.96
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.96
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
6-(3,4-dimethoxyphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035666
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635
5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035630
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200633
6-(4-methoxyphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
CID 113225125
2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 116533689
6-(4-ethylphenyl)-5-methyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227732
6-(4-methoxy-3-methylphenyl)-5-methyl-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035494
2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970422
ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204701

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82227751) is 3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is COc1ccc(-c2nc3sc(C(=O)O)c(C4CC4)n3c2C)cc1.
What is the InChIKey of 3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is YSXDBPXTEDFRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-9-13(10-5-7-12(22-2)8-6-10)18-17-19(9)14(11-3-4-11)15(23-17)16(20)21/h5-8,11H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 328.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82227751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).