3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C16H16N2O3S — CID 4651407

IUPAC3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCCc1ccc(OC)c(-c2csc3nc(C(=O)O)cn23)c1
InChIInChI=1S/C16H16N2O3S/c1-3-4-10-5-6-14(21-2)11(7-10)13-9-22-16-17-12(15(19)20)8-18(13)16/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeyKUNOHBQHAFWMKO-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.72
Rot. Bonds5

About 3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 4651407) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID4651407
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCCc1ccc(OC)c(-c2csc3nc(C(=O)O)cn23)c1
InChIInChI=1S/C16H16N2O3S/c1-3-4-10-5-6-14(21-2)11(7-10)13-9-22-16-17-12(15(19)20)8-18(13)16/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeyKUNOHBQHAFWMKO-UHFFFAOYSA-N
XLogP3.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3571662
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3338842
3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4685203
3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4566367
3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4263024
3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 55265116
3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3998124
3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3884103
6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 95477006
[3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 98020701
(3S)-3-[[4-(2-methoxy-5-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylic acid
CID 87679769
5-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117487199

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 4651407) is 3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CCCc1ccc(OC)c(-c2csc3nc(C(=O)O)cn23)c1.
What is the InChIKey of 3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is KUNOHBQHAFWMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-3-4-10-5-6-14(21-2)11(7-10)13-9-22-16-17-12(15(19)20)8-18(13)16/h5-9H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 4651407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).