2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid

C14H16N2O2S — CID 104527032

IUPAC2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(C)c(-c2nc(C(N)C(=O)O)cs2)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-7-4-8(2)11(9(3)5-7)13-16-10(6-19-13)12(15)14(17)18/h4-6,12H,15H2,1-3H3,(H,17,18)
InChIKeyGEWDQZYTQDYIEJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.82
Rot. Bonds3

About 2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527032) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527032
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(C)c(-c2nc(C(N)C(=O)O)cs2)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-7-4-8(2)11(9(3)5-7)13-16-10(6-19-13)12(15)14(17)18/h4-6,12H,15H2,1-3H3,(H,17,18)
InChIKeyGEWDQZYTQDYIEJ-UHFFFAOYSA-N
XLogP2.82
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid (CID 104527032) is 2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid is Cc1cc(C)c(-c2nc(C(N)C(=O)O)cs2)c(C)c1.
What is the InChIKey of 2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is GEWDQZYTQDYIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-7-4-8(2)11(9(3)5-7)13-16-10(6-19-13)12(15)14(17)18/h4-6,12H,15H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 276.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).