2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid

C11H10N2O3S — CID 107341512

IUPAC2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid
SMILESNc1cccc(OCc2nccs2)c1C(=O)O
InChIInChI=1S/C11H10N2O3S/c12-7-2-1-3-8(10(7)11(14)15)16-6-9-13-4-5-17-9/h1-5H,6,12H2,(H,14,15)
InChIKeyHQFWALBRRXIQDH-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid

2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid (PubChem CID 107341512) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid
PubChem CID107341512
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid
SMILESNc1cccc(OCc2nccs2)c1C(=O)O
InChIInChI=1S/C11H10N2O3S/c12-7-2-1-3-8(10(7)11(14)15)16-6-9-13-4-5-17-9/h1-5H,6,12H2,(H,14,15)
InChIKeyHQFWALBRRXIQDH-UHFFFAOYSA-N
XLogP2.00
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
2-amino-6-(2-methylsulfanylethoxy)benzoic acid
CID 107341426
2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107882860
2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107341596
2-amino-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107341591
2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole
CID 103825960
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 104825495
2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid
CID 107341705
2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107341632
2-amino-6-(trifluoromethoxy)benzoic acid
CID 11096155

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid?
The IUPAC name of 2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid (CID 107341512) is 2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid?
The canonical SMILES for 2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid is Nc1cccc(OCc2nccs2)c1C(=O)O.
What is the InChIKey of 2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid?
The InChIKey is HQFWALBRRXIQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c12-7-2-1-3-8(10(7)11(14)15)16-6-9-13-4-5-17-9/h1-5H,6,12H2,(H,14,15).
What are the key properties of 2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid?
2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid has a molecular weight of 250.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 107341512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).