2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid

C13H20N2O2S — CID 82424977

IUPAC2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
SMILESCC1CCCCN1CCc1ncc(CC(=O)O)s1
InChIInChI=1S/C13H20N2O2S/c1-10-4-2-3-6-15(10)7-5-12-14-9-11(18-12)8-13(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyGWUIVUZOKIKDEW-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.19
Rot. Bonds5

About 2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid

2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 82424977) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID82424977
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
SMILESCC1CCCCN1CCc1ncc(CC(=O)O)s1
InChIInChI=1S/C13H20N2O2S/c1-10-4-2-3-6-15(10)7-5-12-14-9-11(18-12)8-13(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyGWUIVUZOKIKDEW-UHFFFAOYSA-N
XLogP2.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191362
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091040
2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091039
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82425086
2-[5-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]thiophen-2-yl]acetic acid
CID 82886267
1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82433152
2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82439419
2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 115089869
N-[[4-methyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193766
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82424724

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid (CID 82424977) is 2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid is CC1CCCCN1CCc1ncc(CC(=O)O)s1.
What is the InChIKey of 2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is GWUIVUZOKIKDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-4-2-3-6-15(10)7-5-12-14-9-11(18-12)8-13(16)17/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid?
2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 268.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82424977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).