1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid

C13H19N3O3S — CID 82547566

IUPAC1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid
SMILESNCCc1nc(CC(=O)N2CCC(C(=O)O)CC2)cs1
InChIInChI=1S/C13H19N3O3S/c14-4-1-11-15-10(8-20-11)7-12(17)16-5-2-9(3-6-16)13(18)19/h8-9H,1-7,14H2,(H,18,19)
InChIKeyOZOODNKGEPAQKL-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.51
Rot. Bonds5

About 1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid

1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid (PubChem CID 82547566) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid
PubChem CID82547566
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid
SMILESNCCc1nc(CC(=O)N2CCC(C(=O)O)CC2)cs1
InChIInChI=1S/C13H19N3O3S/c14-4-1-11-15-10(8-20-11)7-12(17)16-5-2-9(3-6-16)13(18)19/h8-9H,1-7,14H2,(H,18,19)
InChIKeyOZOODNKGEPAQKL-UHFFFAOYSA-N
XLogP0.51
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450716
methyl 1-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 82547502
ethyl 1-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450854
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(azepan-1-yl)ethanone
CID 82119937
1-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119353808
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110450808
2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110451007
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 119662595
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119136733
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 110450611
ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450872
3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 94279636

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid (CID 82547566) is 1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid is NCCc1nc(CC(=O)N2CCC(C(=O)O)CC2)cs1.
What is the InChIKey of 1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid?
The InChIKey is OZOODNKGEPAQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-4-1-11-15-10(8-20-11)7-12(17)16-5-2-9(3-6-16)13(18)19/h8-9H,1-7,14H2,(H,18,19).
What are the key properties of 1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid?
1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82547566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).