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

C12H19N3O2S — CID 104527841

IUPAC2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC1(C)CCN(c2nc(C(N)C(=O)O)cs2)CC1
InChIInChI=1S/C12H19N3O2S/c1-12(2)3-5-15(6-4-12)11-14-8(7-18-11)9(13)10(16)17/h7,9H,3-6,13H2,1-2H3,(H,16,17)
InChIKeyYAXZRKLEJJEAGA-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.85
Rot. Bonds3

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

2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527841) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527841
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC1(C)CCN(c2nc(C(N)C(=O)O)cs2)CC1
InChIInChI=1S/C12H19N3O2S/c1-12(2)3-5-15(6-4-12)11-14-8(7-18-11)9(13)10(16)17/h7,9H,3-6,13H2,1-2H3,(H,16,17)
InChIKeyYAXZRKLEJJEAGA-UHFFFAOYSA-N
XLogP1.85
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid (CID 104527841) is 2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid is CC1(C)CCN(c2nc(C(N)C(=O)O)cs2)CC1.
What is the InChIKey of 2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is YAXZRKLEJJEAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(2)3-5-15(6-4-12)11-14-8(7-18-11)9(13)10(16)17/h7,9H,3-6,13H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 269.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).