(1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate

C12H10N2O4S — CID 164945588

IUPAC(1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate
SMILESO=C(NOC(=O)[C@@H](O)c1ccccc1)c1cncs1
InChIInChI=1S/C12H10N2O4S/c15-10(8-4-2-1-3-5-8)12(17)18-14-11(16)9-6-13-7-19-9/h1-7,10,15H,(H,14,16)/t10-/m0/s1
InChIKeyWEJQSCYDLUSWSL-JTQLQIEISA-N
MW278.29 g/mol
LogP1.06
Rot. Bonds3

About (1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate

(1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate (PubChem CID 164945588) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is (1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name(1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate
PubChem CID164945588
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name(1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate
SMILESO=C(NOC(=O)[C@@H](O)c1ccccc1)c1cncs1
InChIInChI=1S/C12H10N2O4S/c15-10(8-4-2-1-3-5-8)12(17)18-14-11(16)9-6-13-7-19-9/h1-7,10,15H,(H,14,16)/t10-/m0/s1
InChIKeyWEJQSCYDLUSWSL-JTQLQIEISA-N
XLogP1.06
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of (1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate (CID 164945588) is (1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for (1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for (1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate is O=C(NOC(=O)[C@@H](O)c1ccccc1)c1cncs1.
What is the InChIKey of (1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is WEJQSCYDLUSWSL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H10N2O4S/c15-10(8-4-2-1-3-5-8)12(17)18-14-11(16)9-6-13-7-19-9/h1-7,10,15H,(H,14,16)/t10-/m0/s1.
What are the key properties of (1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate?
(1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 278.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 164945588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).