2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid

C12H18N2O3S — CID 65065474

IUPAC2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
SMILESCC(c1nccs1)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H18N2O3S/c1-9(12-13-4-7-18-12)14-5-2-10(3-6-14)17-8-11(15)16/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyRPMLKBSYMPILNM-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.77
Rot. Bonds5

About 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid

2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid (PubChem CID 65065474) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
PubChem CID65065474
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
SMILESCC(c1nccs1)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H18N2O3S/c1-9(12-13-4-7-18-12)14-5-2-10(3-6-14)17-8-11(15)16/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyRPMLKBSYMPILNM-UHFFFAOYSA-N
XLogP1.77
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid (CID 65065474) is 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid is CC(c1nccs1)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is RPMLKBSYMPILNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(12-13-4-7-18-12)14-5-2-10(3-6-14)17-8-11(15)16/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,15,16).
What are the key properties of 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid?
2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 270.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 65065474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).