5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C16H14N2O2S — CID 82225691

IUPAC5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1ccc(/C=C/c2c(C(=O)O)sc3ncc(C)n23)cc1
InChIInChI=1S/C16H14N2O2S/c1-10-3-5-12(6-4-10)7-8-13-14(15(19)20)21-16-17-9-11(2)18(13)16/h3-9H,1-2H3,(H,19,20)/b8-7+
InChIKeyOSUAQHATGVTYQA-BQYQJAHWSA-N
MW298.37 g/mol
LogP3.88
Rot. Bonds3

About 5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82225691) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82225691
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1ccc(/C=C/c2c(C(=O)O)sc3ncc(C)n23)cc1
InChIInChI=1S/C16H14N2O2S/c1-10-3-5-12(6-4-10)7-8-13-14(15(19)20)21-16-17-9-11(2)18(13)16/h3-9H,1-2H3,(H,19,20)/b8-7+
InChIKeyOSUAQHATGVTYQA-BQYQJAHWSA-N
XLogP3.88
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid with MolForge

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Related Compounds

6-chloro-3-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 54062688
4-[2-(4-methylphenyl)ethenyl]benzoic acid
CID 617184
3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 94968824
5-[(E)-2-(4-methylphenyl)ethenyl]-1-phenyltriazole-4-carboxylic acid
CID 82201380
4-[(E)-2-[5-[5-[(E)-2-(4-methylphenyl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]benzoic acid
CID 58174933
1-butyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carboxylic acid
CID 82205268
2-[(E)-2-(4-chlorophenyl)ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 6213121
4-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carboxamide
CID 142094350
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
(E)-3-(4-methylphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
CID 58026327

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82225691) is 5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is Cc1ccc(/C=C/c2c(C(=O)O)sc3ncc(C)n23)cc1.
What is the InChIKey of 5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is OSUAQHATGVTYQA-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-3-5-12(6-4-10)7-8-13-14(15(19)20)21-16-17-9-11(2)18(13)16/h3-9H,1-2H3,(H,19,20)/b8-7+.
What are the key properties of 5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 298.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82225691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).