6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C14H19N3O2S — CID 63158673

IUPAC6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCC1(C)CCN(c2nc3sccn3c2C(=O)O)CC1
InChIInChI=1S/C14H19N3O2S/c1-3-14(2)4-6-16(7-5-14)11-10(12(18)19)17-8-9-20-13(17)15-11/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyZGPJVWRMUKFEPS-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.11
Rot. Bonds3

About 6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 63158673) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID63158673
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCC1(C)CCN(c2nc3sccn3c2C(=O)O)CC1
InChIInChI=1S/C14H19N3O2S/c1-3-14(2)4-6-16(7-5-14)11-10(12(18)19)17-8-9-20-13(17)15-11/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyZGPJVWRMUKFEPS-UHFFFAOYSA-N
XLogP3.11
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 63158673) is 6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCC1(C)CCN(c2nc3sccn3c2C(=O)O)CC1.
What is the InChIKey of 6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is ZGPJVWRMUKFEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-14(2)4-6-16(7-5-14)11-10(12(18)19)17-8-9-20-13(17)15-11/h8-9H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 63158673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).