1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid

C11H15N3O3S — CID 54962570

IUPAC1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCc2nccs2)C1
InChIInChI=1S/C11H15N3O3S/c15-10(16)8-2-1-4-14(7-8)11(17)13-6-9-12-3-5-18-9/h3,5,8H,1-2,4,6-7H2,(H,13,17)(H,15,16)
InChIKeyBLQJIXRYEORLAS-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.15
Rot. Bonds3

About 1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid

1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 54962570) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID54962570
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCc2nccs2)C1
InChIInChI=1S/C11H15N3O3S/c15-10(16)8-2-1-4-14(7-8)11(17)13-6-9-12-3-5-18-9/h3,5,8H,1-2,4,6-7H2,(H,13,17)(H,15,16)
InChIKeyBLQJIXRYEORLAS-UHFFFAOYSA-N
XLogP1.15
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
3-[1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047677
(3S)-3-(methylsulfonylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 126431963
(3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 96525579
(3R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 154843637
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
3-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55147887
(3S)-1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125511
4-(2-methylpropanoyl)-N-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 146075678
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62056913
1-[2-(1,3-thiazol-2-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128675

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid (CID 54962570) is 1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NCc2nccs2)C1.
What is the InChIKey of 1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is BLQJIXRYEORLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c15-10(16)8-2-1-4-14(7-8)11(17)13-6-9-12-3-5-18-9/h3,5,8H,1-2,4,6-7H2,(H,13,17)(H,15,16).
What are the key properties of 1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 54962570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).