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

C14H16N2O3S — CID 84761863

IUPAC2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(NCCc2ccc(O)cc2)sc1CC(=O)O
InChIInChI=1S/C14H16N2O3S/c1-9-12(8-13(18)19)20-14(16-9)15-7-6-10-2-4-11(17)5-3-10/h2-5,17H,6-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyJGQZKPJLECFCQQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.44
Rot. Bonds6

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

2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 84761863) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID84761863
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(NCCc2ccc(O)cc2)sc1CC(=O)O
InChIInChI=1S/C14H16N2O3S/c1-9-12(8-13(18)19)20-14(16-9)15-7-6-10-2-4-11(17)5-3-10/h2-5,17H,6-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyJGQZKPJLECFCQQ-UHFFFAOYSA-N
XLogP2.44
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 84761863) is 2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid is Cc1nc(NCCc2ccc(O)cc2)sc1CC(=O)O.
What is the InChIKey of 2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is JGQZKPJLECFCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-12(8-13(18)19)20-14(16-9)15-7-6-10-2-4-11(17)5-3-10/h2-5,17H,6-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 292.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 84761863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).