2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

C12H18N2O3S — CID 62765118

IUPAC2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCOC1CCN(c2nc(C)c(C(=O)O)s2)CC1
InChIInChI=1S/C12H18N2O3S/c1-3-17-9-4-6-14(7-5-9)12-13-8(2)10(18-12)11(15)16/h9H,3-7H2,1-2H3,(H,15,16)
InChIKeyLVLNLAIRMRKDGL-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.16
Rot. Bonds4

About 2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62765118) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID62765118
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCOC1CCN(c2nc(C)c(C(=O)O)s2)CC1
InChIInChI=1S/C12H18N2O3S/c1-3-17-9-4-6-14(7-5-9)12-13-8(2)10(18-12)11(15)16/h9H,3-7H2,1-2H3,(H,15,16)
InChIKeyLVLNLAIRMRKDGL-UHFFFAOYSA-N
XLogP2.16
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 62765118) is 2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is CCOC1CCN(c2nc(C)c(C(=O)O)s2)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is LVLNLAIRMRKDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-17-9-4-6-14(7-5-9)12-13-8(2)10(18-12)11(15)16/h9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 270.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).