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

C11H10N2O3S — CID 9154715

IUPAC2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C11H10N2O3S/c14-9-3-1-7(2-4-9)12-11-13-8(6-17-11)5-10(15)16/h1-4,6,14H,5H2,(H,12,13)(H,15,16)
InChIKeyRQRUXBBDXKZBFY-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.22
Rot. Bonds4

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

2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 9154715) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID9154715
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C11H10N2O3S/c14-9-3-1-7(2-4-9)12-11-13-8(6-17-11)5-10(15)16/h1-4,6,14H,5H2,(H,12,13)(H,15,16)
InChIKeyRQRUXBBDXKZBFY-UHFFFAOYSA-N
XLogP2.22
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid (CID 9154715) is 2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(Nc2ccc(O)cc2)n1.
What is the InChIKey of 2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is RQRUXBBDXKZBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-9-3-1-7(2-4-9)12-11-13-8(6-17-11)5-10(15)16/h1-4,6,14H,5H2,(H,12,13)(H,15,16).
What are the key properties of 2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 250.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 9154715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).