1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid

C11H16N2O2S — CID 63021354

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid
SMILESCc1ncc(CN2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C11H16N2O2S/c1-8-12-5-10(16-8)7-13-4-2-3-9(6-13)11(14)15/h5,9H,2-4,6-7H2,1H3,(H,14,15)
InChIKeyDBFIPHHZFHGAIA-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.75
Rot. Bonds3

About 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid

1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 63021354) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid
PubChem CID63021354
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid
SMILESCc1ncc(CN2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C11H16N2O2S/c1-8-12-5-10(16-8)7-13-4-2-3-9(6-13)11(14)15/h5,9H,2-4,6-7H2,1H3,(H,14,15)
InChIKeyDBFIPHHZFHGAIA-UHFFFAOYSA-N
XLogP1.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid (CID 63021354) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid is Cc1ncc(CN2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is DBFIPHHZFHGAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-12-5-10(16-8)7-13-4-2-3-9(6-13)11(14)15/h5,9H,2-4,6-7H2,1H3,(H,14,15).
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63021354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).