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

C12H16N2O3S — CID 120537406

IUPAC(2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESCc1nc(C(=O)N2CCCC[C@@H]2C(=O)O)c(C)s1
InChIInChI=1S/C12H16N2O3S/c1-7-10(13-8(2)18-7)11(15)14-6-4-3-5-9(14)12(16)17/h9H,3-6H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyMMLTZUOILYRTHK-SECBINFHSA-N
MW268.34 g/mol
LogP1.84
Rot. Bonds2

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

(2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 120537406) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID120537406
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESCc1nc(C(=O)N2CCCC[C@@H]2C(=O)O)c(C)s1
InChIInChI=1S/C12H16N2O3S/c1-7-10(13-8(2)18-7)11(15)14-6-4-3-5-9(14)12(16)17/h9H,3-6H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyMMLTZUOILYRTHK-SECBINFHSA-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-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 43092215
(2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116715
(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 79034345
1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176258
1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62339102
1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119137755
(2S)-1-(5-bromo-4-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79982145
1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64560694
(2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371482
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
(2S)-1-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxylic acid
CID 124577058
1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid
CID 122142819

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid (CID 120537406) is (2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid is Cc1nc(C(=O)N2CCCC[C@@H]2C(=O)O)c(C)s1.
What is the InChIKey of (2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is MMLTZUOILYRTHK-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7-10(13-8(2)18-7)11(15)14-6-4-3-5-9(14)12(16)17/h9H,3-6H2,1-2H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(2,5-dimethyl-1,3-thiazole-4-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 (2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 120537406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).