2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid

C11H10N2O3S — CID 140557880

IUPAC2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid
SMILESNc1ncc(Oc2ccc(CC(=O)O)cc2)s1
InChIInChI=1S/C11H10N2O3S/c12-11-13-6-10(17-11)16-8-3-1-7(2-4-8)5-9(14)15/h1-4,6H,5H2,(H2,12,13)(H,14,15)
InChIKeyGHBDWLCOOIFLQC-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.14
Rot. Bonds4

About 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid

2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid (PubChem CID 140557880) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid
PubChem CID140557880
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid
SMILESNc1ncc(Oc2ccc(CC(=O)O)cc2)s1
InChIInChI=1S/C11H10N2O3S/c12-11-13-6-10(17-11)16-8-3-1-7(2-4-8)5-9(14)15/h1-4,6H,5H2,(H2,12,13)(H,14,15)
InChIKeyGHBDWLCOOIFLQC-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde
CID 88921262
2-[4-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 113432159
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-(4-pyridin-4-yloxyphenyl)acetic acid
CID 61395502
2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride
CID 71756945
ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate
CID 86669549
2-(2-amino-1,3-thiazol-5-yl)acetic acid;methoxymethane
CID 126619372
2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid
CID 71246278
2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid
CID 61395524
2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid
CID 115055262
2-(4-carbamoyloxyphenyl)acetic acid
CID 54293995
2-[4-[4-(diaminomethylideneamino)phenoxy]phenyl]acetic acid
CID 125329148

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid (CID 140557880) is 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid is Nc1ncc(Oc2ccc(CC(=O)O)cc2)s1.
What is the InChIKey of 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid?
The InChIKey is GHBDWLCOOIFLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c12-11-13-6-10(17-11)16-8-3-1-7(2-4-8)5-9(14)15/h1-4,6H,5H2,(H2,12,13)(H,14,15).
What are the key properties of 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid?
2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid has a molecular weight of 250.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid is sourced from PubChem (CID 140557880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).