2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid

C12H18N2O2S — CID 39159883

IUPAC2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCN2CCCCC2)n1
InChIInChI=1S/C12H18N2O2S/c15-12(16)8-10-9-17-11(13-10)4-7-14-5-2-1-3-6-14/h9H,1-8H2,(H,15,16)
InChIKeyGHOOQGZRDUPWKS-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.80
Rot. Bonds5

About 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid

2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 39159883) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID39159883
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCN2CCCCC2)n1
InChIInChI=1S/C12H18N2O2S/c15-12(16)8-10-9-17-11(13-10)4-7-14-5-2-1-3-6-14/h9H,1-8H2,(H,15,16)
InChIKeyGHOOQGZRDUPWKS-UHFFFAOYSA-N
XLogP1.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid (CID 39159883) is 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(CCN2CCCCC2)n1.
What is the InChIKey of 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is GHOOQGZRDUPWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-12(16)8-10-9-17-11(13-10)4-7-14-5-2-1-3-6-14/h9H,1-8H2,(H,15,16).
What are the key properties of 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 254.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 39159883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).