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

C11H18N2O3S — CID 55235129

IUPAC2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)C1CCNCC1
InChIInChI=1S/C11H18N2O3S/c1-7-13(9(6-17-7)11(15)16)10(14)8-2-4-12-5-3-8/h7-9,12H,2-6H2,1H3,(H,15,16)
InChIKeyDFVVZNQKLOALME-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.36
Rot. Bonds2

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

2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235129) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235129
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)C1CCNCC1
InChIInChI=1S/C11H18N2O3S/c1-7-13(9(6-17-7)11(15)16)10(14)8-2-4-12-5-3-8/h7-9,12H,2-6H2,1H3,(H,15,16)
InChIKeyDFVVZNQKLOALME-UHFFFAOYSA-N
XLogP0.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylcyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63790556
3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792541
2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791448
2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 63793043
2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781288
2-ethyl-3-(pyrrolidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237451
2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792161
2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63903192
2-methyl-3-(2-morpholin-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 66426625
2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237845
3-(2-cyclobutylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103161930
3-butanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 55235129) is 2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)C1CCNCC1.
What is the InChIKey of 2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DFVVZNQKLOALME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-7-13(9(6-17-7)11(15)16)10(14)8-2-4-12-5-3-8/h7-9,12H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).