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

C12H19N3O2S — CID 116886675

IUPAC2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(C2CCCN(C)C2)sc1C(N)C(=O)O
InChIInChI=1S/C12H19N3O2S/c1-7-10(9(13)12(16)17)18-11(14-7)8-4-3-5-15(2)6-8/h8-9H,3-6,13H2,1-2H3,(H,16,17)
InChIKeyGFSSQZGIOJLOCC-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.35
Rot. Bonds3

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

2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 116886675) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid
PubChem CID116886675
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(C2CCCN(C)C2)sc1C(N)C(=O)O
InChIInChI=1S/C12H19N3O2S/c1-7-10(9(13)12(16)17)18-11(14-7)8-4-3-5-15(2)6-8/h8-9H,3-6,13H2,1-2H3,(H,16,17)
InChIKeyGFSSQZGIOJLOCC-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884662
4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde
CID 131297673
3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol
CID 116887238
2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 116885510
2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid
CID 119135139
1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884663
2-(1-ethylpiperidin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 91811972
2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid
CID 116881783
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
CID 116890832
5-methyl-4-[(3R)-1-methylpiperidin-3-yl]-1,3-thiazol-2-amine
CID 177161274
2-amino-1-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)ethanol
CID 116886750

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid (CID 116886675) is 2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid is Cc1nc(C2CCCN(C)C2)sc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is GFSSQZGIOJLOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7-10(9(13)12(16)17)18-11(14-7)8-4-3-5-15(2)6-8/h8-9H,3-6,13H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid?
2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 269.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 116886675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).