3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C15H14N2O3S — CID 82062009

IUPAC3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCOc1ccc(-c2csc3ncc(C(=O)O)n23)cc1
InChIInChI=1S/C15H14N2O3S/c1-2-7-20-11-5-3-10(4-6-11)13-9-21-15-16-8-12(14(18)19)17(13)15/h3-6,8-9H,2,7H2,1H3,(H,18,19)
InChIKeyDPCVOTNCTDWQCZ-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.55
Rot. Bonds5

About 3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82062009) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82062009
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCOc1ccc(-c2csc3ncc(C(=O)O)n23)cc1
InChIInChI=1S/C15H14N2O3S/c1-2-7-20-11-5-3-10(4-6-11)13-9-21-15-16-8-12(14(18)19)17(13)15/h3-6,8-9H,2,7H2,1H3,(H,18,19)
InChIKeyDPCVOTNCTDWQCZ-UHFFFAOYSA-N
XLogP3.55
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068425
3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82061917
3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82061970
3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82062120
[3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol
CID 82062007
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068426
1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543420
2-(4-butoxyphenyl)pyrimidine-5-carboxylic acid
CID 14765882
4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119251703
4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405

Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82062009) is 3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCCOc1ccc(-c2csc3ncc(C(=O)O)n23)cc1.
What is the InChIKey of 3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is DPCVOTNCTDWQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-2-7-20-11-5-3-10(4-6-11)13-9-21-15-16-8-12(14(18)19)17(13)15/h3-6,8-9H,2,7H2,1H3,(H,18,19).
What are the key properties of 3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82062009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).