2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol

C13H9N3O2S — CID 135432812

IUPAC2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2)nc1/C=N/c1nccs1
InChIInChI=1S/C13H9N3O2S/c17-12-10(8-15-13-14-6-7-19-13)16-11(18-12)9-4-2-1-3-5-9/h1-8,17H/b15-8+
InChIKeyUGUIPEONHVWAJQ-OVCLIPMQSA-N
MW271.30 g/mol
LogP3.25
Rot. Bonds3

About 2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol

2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol (PubChem CID 135432812) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
PubChem CID135432812
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC Name2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2)nc1/C=N/c1nccs1
InChIInChI=1S/C13H9N3O2S/c17-12-10(8-15-13-14-6-7-19-13)16-11(18-12)9-4-2-1-3-5-9/h1-8,17H/b15-8+
InChIKeyUGUIPEONHVWAJQ-OVCLIPMQSA-N
XLogP3.25
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol (CID 135432812) is 2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol is Oc1oc(-c2ccccc2)nc1/C=N/c1nccs1.
What is the InChIKey of 2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol?
The InChIKey is UGUIPEONHVWAJQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H9N3O2S/c17-12-10(8-15-13-14-6-7-19-13)16-11(18-12)9-4-2-1-3-5-9/h1-8,17H/b15-8+.
What are the key properties of 2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol?
2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol has a molecular weight of 271.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 135432812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).