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

C18H23N3O2S — CID 122062259

IUPAC2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(c2ncc(-c3ccccc3)s2)CC1
InChIInChI=1S/C18H23N3O2S/c1-2-20(13-17(22)23)15-8-10-21(11-9-15)18-19-12-16(24-18)14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3,(H,22,23)
InChIKeyJBWGELJGAFNUJQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.19
Rot. Bonds6

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

2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid (PubChem CID 122062259) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid
PubChem CID122062259
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(c2ncc(-c3ccccc3)s2)CC1
InChIInChI=1S/C18H23N3O2S/c1-2-20(13-17(22)23)15-8-10-21(11-9-15)18-19-12-16(24-18)14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3,(H,22,23)
InChIKeyJBWGELJGAFNUJQ-UHFFFAOYSA-N
XLogP3.19
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid (CID 122062259) is 2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(c2ncc(-c3ccccc3)s2)CC1.
What is the InChIKey of 2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid?
The InChIKey is JBWGELJGAFNUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-20(13-17(22)23)15-8-10-21(11-9-15)18-19-12-16(24-18)14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3,(H,22,23).
What are the key properties of 2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid has a molecular weight of 345.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122062259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).