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

C10H14N2O3S — CID 62752434

IUPAC2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCOC1CCN(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C10H14N2O3S/c1-15-7-2-4-12(5-3-7)10-11-6-8(16-10)9(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyJZFGBEZNDLINSH-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.46
Rot. Bonds3

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

2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 62752434) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID62752434
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCOC1CCN(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C10H14N2O3S/c1-15-7-2-4-12(5-3-7)10-11-6-8(16-10)9(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyJZFGBEZNDLINSH-UHFFFAOYSA-N
XLogP1.46
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 62752434) is 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is COC1CCN(c2ncc(C(=O)O)s2)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is JZFGBEZNDLINSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-15-7-2-4-12(5-3-7)10-11-6-8(16-10)9(13)14/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62752434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).