2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H18N2O3S — CID 55237845

IUPAC2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)N1CCCCC1
InChIInChI=1S/C11H18N2O3S/c1-8-13(9(7-17-8)10(14)15)11(16)12-5-3-2-4-6-12/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyFONYQUUOYOEOIC-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.44
Rot. Bonds1

About 2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55237845) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55237845
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)N1CCCCC1
InChIInChI=1S/C11H18N2O3S/c1-8-13(9(7-17-8)10(14)15)11(16)12-5-3-2-4-6-12/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyFONYQUUOYOEOIC-UHFFFAOYSA-N
XLogP1.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(1,4-thiazepane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781824
3-(3,5-dioxopiperazine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 66061442
3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 112626849
3-(2-methoxycarbonylpiperidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 115535110
3-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 114460633
3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780738
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 102727462
3-butanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793196
3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791466
2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235129
3-(2-cyclobutylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103161930
2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 63793043

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 55237845) is 2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FONYQUUOYOEOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-13(9(7-17-8)10(14)15)11(16)12-5-3-2-4-6-12/h8-9H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55237845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).