2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid

C13H20N2O2S — CID 115091040

IUPAC2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCCN1CCCCC1Cc1ncc(CC(=O)O)s1
InChIInChI=1S/C13H20N2O2S/c1-2-15-6-4-3-5-10(15)7-12-14-9-11(18-12)8-13(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyNNOPJWVMDJCUJO-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.19
Rot. Bonds5

About 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid

2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 115091040) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID115091040
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCCN1CCCCC1Cc1ncc(CC(=O)O)s1
InChIInChI=1S/C13H20N2O2S/c1-2-15-6-4-3-5-10(15)7-12-14-9-11(18-12)8-13(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyNNOPJWVMDJCUJO-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-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091039
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091025
1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 115090768
2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82424977
1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115088795
1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone
CID 115086140
5-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 115078444
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82425086
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115088809
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
2-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82423477
[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]methanol
CID 115085964

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid (CID 115091040) is 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid is CCN1CCCCC1Cc1ncc(CC(=O)O)s1.
What is the InChIKey of 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is NNOPJWVMDJCUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-15-6-4-3-5-10(15)7-12-14-9-11(18-12)8-13(16)17/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
2-[2-[(1-ethylpiperidin-2-yl)methyl]-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-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 115091040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).