2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid

C11H16N2O2S — CID 104598838

IUPAC2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1Cc1cscn1
InChIInChI=1S/C11H16N2O2S/c1-11(10(14)15)4-2-3-5-13(11)6-9-7-16-8-12-9/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyOETIDZJYRDODQC-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.97
Rot. Bonds3

About 2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid

2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 104598838) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid
PubChem CID104598838
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1Cc1cscn1
InChIInChI=1S/C11H16N2O2S/c1-11(10(14)15)4-2-3-5-13(11)6-9-7-16-8-12-9/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyOETIDZJYRDODQC-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid (CID 104598838) is 2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1Cc1cscn1.
What is the InChIKey of 2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is OETIDZJYRDODQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(10(14)15)4-2-3-5-13(11)6-9-7-16-8-12-9/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid?
2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104598838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).