1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid

C12H16N2O3S — CID 43092215

IUPAC1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESCc1nc(C)c(C(=O)N2CCCCC2C(=O)O)s1
InChIInChI=1S/C12H16N2O3S/c1-7-10(18-8(2)13-7)11(15)14-6-4-3-5-9(14)12(16)17/h9H,3-6H2,1-2H3,(H,16,17)
InChIKeyXUOAOVFWHASYMR-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.84
Rot. Bonds2

About 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid

1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid (PubChem CID 43092215) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
PubChem CID43092215
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESCc1nc(C)c(C(=O)N2CCCCC2C(=O)O)s1
InChIInChI=1S/C12H16N2O3S/c1-7-10(18-8(2)13-7)11(15)14-6-4-3-5-9(14)12(16)17/h9H,3-6H2,1-2H3,(H,16,17)
InChIKeyXUOAOVFWHASYMR-UHFFFAOYSA-N
XLogP1.84
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176258
1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119137755
(2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120537406
(2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371482
(2S)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 99639883
(2S)-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119366168
tert-butyl (2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 80998731
(2S)-1-[2-[(1S)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 124688096
1-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356399
(2S)-1-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxylic acid
CID 124577058
(2S)-1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-2-carboxylic acid
CID 99639718
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083558

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid (CID 43092215) is 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid is Cc1nc(C)c(C(=O)N2CCCCC2C(=O)O)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is XUOAOVFWHASYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7-10(18-8(2)13-7)11(15)14-6-4-3-5-9(14)12(16)17/h9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid?
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43092215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).