2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid

C11H15N3O3S — CID 106743843

IUPAC2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)Nc1nccs1
InChIInChI=1S/C11H15N3O3S/c1-7-6-8(9(15)16)2-4-14(7)11(17)13-10-12-3-5-18-10/h3,5,7-8H,2,4,6H2,1H3,(H,15,16)(H,12,13,17)
InChIKeyWRBQPUAZROJYHT-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.86
Rot. Bonds2

About 2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid

2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 106743843) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID106743843
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)Nc1nccs1
InChIInChI=1S/C11H15N3O3S/c1-7-6-8(9(15)16)2-4-14(7)11(17)13-10-12-3-5-18-10/h3,5,7-8H,2,4,6H2,1H3,(H,15,16)(H,12,13,17)
InChIKeyWRBQPUAZROJYHT-UHFFFAOYSA-N
XLogP1.86
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 114278560
(5aS,9aR)-N-(1,3-thiazol-2-yl)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxamide
CID 97255258
2-methyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744299
4-methyl-2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71989175
1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744430
1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 107601848
1-[(3-bromothiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744435
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076
(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 124976321
(1S,4S)-5-propan-2-yl-N-(1,3-thiazol-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 88572983
N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide
CID 75371274
2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 106742085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid (CID 106743843) is 2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)Nc1nccs1.
What is the InChIKey of 2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is WRBQPUAZROJYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7-6-8(9(15)16)2-4-14(7)11(17)13-10-12-3-5-18-10/h3,5,7-8H,2,4,6H2,1H3,(H,15,16)(H,12,13,17).
What are the key properties of 2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid?
2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106743843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).