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

C11H8N2O3S — CID 4713520

IUPAC2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid
SMILESO=C(O)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H8N2O3S/c14-9(10(15)16)13-11-12-8(6-17-11)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,12,13,14)
InChIKeyXHFUWPYJAUFIDN-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.83
Rot. Bonds2

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

2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid (PubChem CID 4713520) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid
PubChem CID4713520
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC Name2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid
SMILESO=C(O)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H8N2O3S/c14-9(10(15)16)13-11-12-8(6-17-11)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,12,13,14)
InChIKeyXHFUWPYJAUFIDN-UHFFFAOYSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid (CID 4713520) is 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid is O=C(O)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid?
The InChIKey is XHFUWPYJAUFIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c14-9(10(15)16)13-11-12-8(6-17-11)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,12,13,14).
What are the key properties of 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid?
2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid has a molecular weight of 248.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 4713520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).