2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid

C14H16N2O2S — CID 82103135

IUPAC2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid
SMILESCc1ccc(-c2csc(CCNCC(=O)O)n2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-2-4-11(5-3-10)12-9-19-13(16-12)6-7-15-8-14(17)18/h2-5,9,15H,6-8H2,1H3,(H,17,18)
InChIKeyLJMDZELUQAUGRE-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.34
Rot. Bonds6

About 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid

2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid (PubChem CID 82103135) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid
PubChem CID82103135
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid
SMILESCc1ccc(-c2csc(CCNCC(=O)O)n2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-2-4-11(5-3-10)12-9-19-13(16-12)6-7-15-8-14(17)18/h2-5,9,15H,6-8H2,1H3,(H,17,18)
InChIKeyLJMDZELUQAUGRE-UHFFFAOYSA-N
XLogP2.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
CID 82103146
3-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethylamino]propanoic acid
CID 82102974
N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine
CID 82103343
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968163
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
N-[3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538
N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 82102821
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid?
The IUPAC name of 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid (CID 82103135) is 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid is Cc1ccc(-c2csc(CCNCC(=O)O)n2)cc1.
What is the InChIKey of 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid?
The InChIKey is LJMDZELUQAUGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-2-4-11(5-3-10)12-9-19-13(16-12)6-7-15-8-14(17)18/h2-5,9,15H,6-8H2,1H3,(H,17,18).
What are the key properties of 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid?
2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid has a molecular weight of 276.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid is sourced from PubChem (CID 82103135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).