2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride

C11H11ClN2O2S — CID 82548145

IUPAC2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
SMILESCl.Nc1ccccc1-c1nc(CC(=O)O)cs1
InChIInChI=1S/C11H10N2O2S.ClH/c12-9-4-2-1-3-8(9)11-13-7(6-16-11)5-10(14)15;/h1-4,6H,5,12H2,(H,14,15);1H
InChIKeyYIVHHBNNJIXBGA-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.44
Rot. Bonds3

About 2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride

2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride (PubChem CID 82548145) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
PubChem CID82548145
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
SMILESCl.Nc1ccccc1-c1nc(CC(=O)O)cs1
InChIInChI=1S/C11H10N2O2S.ClH/c12-9-4-2-1-3-8(9)11-13-7(6-16-11)5-10(14)15;/h1-4,6H,5,12H2,(H,14,15);1H
InChIKeyYIVHHBNNJIXBGA-UHFFFAOYSA-N
XLogP2.44
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20988385
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CID 39159599
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline
CID 107507057
2-[2-[4-[[benzyl(methyl)amino]methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159753
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 62308557
2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 103372970
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide
CID 110450447
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride (CID 82548145) is 2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride is Cl.Nc1ccccc1-c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride?
The InChIKey is YIVHHBNNJIXBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S.ClH/c12-9-4-2-1-3-8(9)11-13-7(6-16-11)5-10(14)15;/h1-4,6H,5,12H2,(H,14,15);1H.
What are the key properties of 2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride?
2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride has a molecular weight of 270.74 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride is sourced from PubChem (CID 82548145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).