1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid

C12H16N2O4S — CID 43171077

IUPAC1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-8-7-19-12(18)14(8)6-10(15)13-5-3-2-4-9(13)11(16)17/h7,9H,2-6H2,1H3,(H,16,17)
InChIKeyNXJKGBRMSREADQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.68
Rot. Bonds3

About 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid

1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 43171077) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID43171077
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-8-7-19-12(18)14(8)6-10(15)13-5-3-2-4-9(13)11(16)17/h7,9H,2-6H2,1H3,(H,16,17)
InChIKeyNXJKGBRMSREADQ-UHFFFAOYSA-N
XLogP0.68
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one
CID 115626502
4-methyl-3-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]-1,3-thiazol-2-one
CID 24670296
(2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 66263121
1-(2-pyrrolidin-1-ylacetyl)piperidine-2-carboxylic acid
CID 68753456
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922396
1-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]piperidine-2-carboxylic acid
CID 102553994
4-methyl-3-[3-oxo-3-(2-pyridin-4-ylazepan-1-yl)propyl]-1,3-thiazol-2-one
CID 86998561
1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176148
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid
CID 75421935
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid (CID 43171077) is 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid is Cc1csc(=O)n1CC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is NXJKGBRMSREADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8-7-19-12(18)14(8)6-10(15)13-5-3-2-4-9(13)11(16)17/h7,9H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid?
1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43171077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).