2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid

C19H24FN3O2S — CID 122043094

IUPAC2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(Cc2cnc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C19H24FN3O2S/c1-2-23(13-18(24)25)14-7-9-22(10-8-14)12-15-11-21-19(26-15)16-5-3-4-6-17(16)20/h3-6,11,14H,2,7-10,12-13H2,1H3,(H,24,25)
InChIKeyXNEOYMXMCUIUAL-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.32
Rot. Bonds7

About 2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid (PubChem CID 122043094) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid
PubChem CID122043094
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(Cc2cnc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C19H24FN3O2S/c1-2-23(13-18(24)25)14-7-9-22(10-8-14)12-15-11-21-19(26-15)16-5-3-4-6-17(16)20/h3-6,11,14H,2,7-10,12-13H2,1H3,(H,24,25)
InChIKeyXNEOYMXMCUIUAL-UHFFFAOYSA-N
XLogP3.32
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid (CID 122043094) is 2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(Cc2cnc(-c3ccccc3F)s2)CC1.
What is the InChIKey of 2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is XNEOYMXMCUIUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-2-23(13-18(24)25)14-7-9-22(10-8-14)12-15-11-21-19(26-15)16-5-3-4-6-17(16)20/h3-6,11,14H,2,7-10,12-13H2,1H3,(H,24,25).
What are the key properties of 2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 377.49 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122043094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).