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

C11H17N3O2S — CID 104527460

IUPAC2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC1CCCCN1c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C11H17N3O2S/c1-7-4-2-3-5-14(7)11-13-8(6-17-11)9(12)10(15)16/h6-7,9H,2-5,12H2,1H3,(H,15,16)
InChIKeyABDFCLAFOAAIQJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.61
Rot. Bonds3

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

2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527460) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527460
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC1CCCCN1c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C11H17N3O2S/c1-7-4-2-3-5-14(7)11-13-8(6-17-11)9(12)10(15)16/h6-7,9H,2-5,12H2,1H3,(H,15,16)
InChIKeyABDFCLAFOAAIQJ-UHFFFAOYSA-N
XLogP1.61
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 104528021
2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527993
2-amino-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)acetic acid
CID 104527258
2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
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2-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576345
2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527841
[2-[(2S)-2-methylpiperidin-1-yl]-1,3-thiazol-4-yl]boronic acid
CID 99866364
4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole
CID 79400292
ethyl 3-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487795
methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 115423691
2-amino-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527843
2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid (CID 104527460) is 2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid is CC1CCCCN1c1nc(C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ABDFCLAFOAAIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7-4-2-3-5-14(7)11-13-8(6-17-11)9(12)10(15)16/h6-7,9H,2-5,12H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 255.34 g/mol, XLogP of 1.61, 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-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).