3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid

C11H15ClN2O3S — CID 83152133

IUPAC3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C11H15ClN2O3S/c12-9-7-18-11(13-9)14-4-1-8(2-5-14)17-6-3-10(15)16/h7-8H,1-6H2,(H,15,16)
InChIKeyNUCLTRJXISFIKP-UHFFFAOYSA-N
MW290.77 g/mol
LogP2.26
Rot. Bonds5

About 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid

3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid (PubChem CID 83152133) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid
PubChem CID83152133
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C11H15ClN2O3S/c12-9-7-18-11(13-9)14-4-1-8(2-5-14)17-6-3-10(15)16/h7-8H,1-6H2,(H,15,16)
InChIKeyNUCLTRJXISFIKP-UHFFFAOYSA-N
XLogP2.26
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid (CID 83152133) is 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(c2nc(Cl)cs2)CC1.
What is the InChIKey of 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is NUCLTRJXISFIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c12-9-7-18-11(13-9)14-4-1-8(2-5-14)17-6-3-10(15)16/h7-8H,1-6H2,(H,15,16).
What are the key properties of 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid?
3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 290.77 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 83152133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).