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

C11H16N2O2S — CID 63124565

IUPAC4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid
SMILESCc1csc(N2CCC(C)(C(=O)O)CC2)n1
InChIInChI=1S/C11H16N2O2S/c1-8-7-16-10(12-8)13-5-3-11(2,4-6-13)9(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyDDWVTILBMGPTME-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.14
Rot. Bonds2

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

4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid (PubChem CID 63124565) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid
PubChem CID63124565
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid
SMILESCc1csc(N2CCC(C)(C(=O)O)CC2)n1
InChIInChI=1S/C11H16N2O2S/c1-8-7-16-10(12-8)13-5-3-11(2,4-6-13)9(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyDDWVTILBMGPTME-UHFFFAOYSA-N
XLogP2.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid (CID 63124565) is 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid is Cc1csc(N2CCC(C)(C(=O)O)CC2)n1.
What is the InChIKey of 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The InChIKey is DDWVTILBMGPTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-7-16-10(12-8)13-5-3-11(2,4-6-13)9(14)15/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63124565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).