6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid

C12H16N2O3S — CID 122083597

IUPAC6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCc1ncc(C(=O)N2CC(C(=O)O)CCC2C)s1
InChIInChI=1S/C12H16N2O3S/c1-7-3-4-9(12(16)17)6-14(7)11(15)10-5-13-8(2)18-10/h5,7,9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyQDYOECZLQHEZDX-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.78
Rot. Bonds2

About 6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid

6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122083597) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID122083597
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCc1ncc(C(=O)N2CC(C(=O)O)CCC2C)s1
InChIInChI=1S/C12H16N2O3S/c1-7-3-4-9(12(16)17)6-14(7)11(15)10-5-13-8(2)18-10/h5,7,9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyQDYOECZLQHEZDX-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083558
6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 122083821
(3-methylpyrrolidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 170767853
1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112886
1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112968
(3S,6R)-1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide
CID 95583565
[2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103805490
6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122112768
[(2R)-4-benzyl-2-methyl-1,4-diazepan-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95635280
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 104956593
1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083524
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid (CID 122083597) is 6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid is Cc1ncc(C(=O)N2CC(C(=O)O)CCC2C)s1.
What is the InChIKey of 6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is QDYOECZLQHEZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7-3-4-9(12(16)17)6-14(7)11(15)10-5-13-8(2)18-10/h5,7,9H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid?
6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122083597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).