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

C12H18N2O3S — CID 80575700

IUPAC2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCCOC1CCCN(c2nc(CC(=O)O)cs2)C1
InChIInChI=1S/C12H18N2O3S/c1-2-17-10-4-3-5-14(7-10)12-13-9(8-18-12)6-11(15)16/h8,10H,2-7H2,1H3,(H,15,16)
InChIKeyNQPSVIGABDGPIB-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.78
Rot. Bonds5

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

2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 80575700) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID80575700
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCCOC1CCCN(c2nc(CC(=O)O)cs2)C1
InChIInChI=1S/C12H18N2O3S/c1-2-17-10-4-3-5-14(7-10)12-13-9(8-18-12)6-11(15)16/h8,10H,2-7H2,1H3,(H,15,16)
InChIKeyNQPSVIGABDGPIB-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487203
4-(chloromethyl)-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 54989651
2-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576869
2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575566
methyl 2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-thiazol-4-yl]acetate
CID 80576981
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid
CID 80575369
4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 83156216
2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575363
2-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576803
methyl 3-[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040083
2-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576345

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid (CID 80575700) is 2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid is CCOC1CCCN(c2nc(CC(=O)O)cs2)C1.
What is the InChIKey of 2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is NQPSVIGABDGPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-17-10-4-3-5-14(7-10)12-13-9(8-18-12)6-11(15)16/h8,10H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 270.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80575700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).