2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid

C13H20N2O2S — CID 62766142

IUPAC2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N2CCC(C)CC2C)sc1C(=O)O
InChIInChI=1S/C13H20N2O2S/c1-4-10-11(12(16)17)18-13(14-10)15-6-5-8(2)7-9(15)3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyNWKUIYDVETXNGK-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.03
Rot. Bonds3

About 2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid

2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62766142) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID62766142
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N2CCC(C)CC2C)sc1C(=O)O
InChIInChI=1S/C13H20N2O2S/c1-4-10-11(12(16)17)18-13(14-10)15-6-5-8(2)7-9(15)3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyNWKUIYDVETXNGK-UHFFFAOYSA-N
XLogP3.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 62766142) is 2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(N2CCC(C)CC2C)sc1C(=O)O.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is NWKUIYDVETXNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-10-11(12(16)17)18-13(14-10)15-6-5-8(2)7-9(15)3/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62766142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).