4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

C14H22N2O3S — CID 107509457

IUPAC4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(N2CC(C)CC(C)C2C)sc1C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-8-5-9(2)10(3)16(6-8)14-15-11(7-19-4)12(20-14)13(17)18/h8-10H,5-7H2,1-4H3,(H,17,18)
InChIKeyWDYNDEJJXLFSJK-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.86
Rot. Bonds4

About 4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 107509457) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID107509457
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(N2CC(C)CC(C)C2C)sc1C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-8-5-9(2)10(3)16(6-8)14-15-11(7-19-4)12(20-14)13(17)18/h8-10H,5-7H2,1-4H3,(H,17,18)
InChIKeyWDYNDEJJXLFSJK-UHFFFAOYSA-N
XLogP2.86
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 107509457) is 4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is COCc1nc(N2CC(C)CC(C)C2C)sc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WDYNDEJJXLFSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-8-5-9(2)10(3)16(6-8)14-15-11(7-19-4)12(20-14)13(17)18/h8-10H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 298.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 107509457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).