N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide

C18H14N2O3S — CID 163199645

IUPACN-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1=NC(=O)/C(=C\c2ccccc2O)S1
InChIInChI=1S/C18H14N2O3S/c21-14-9-5-4-8-13(14)11-15-17(23)20-18(24-15)19-16(22)10-12-6-2-1-3-7-12/h1-9,11,21H,10H2,(H,19,20,22,23)/b15-11+
InChIKeyUFBGIDSRRHQJCP-RVDMUPIBSA-N
MW338.39 g/mol
LogP2.72
Rot. Bonds3

About N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide

N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 163199645) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID163199645
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC NameN-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1=NC(=O)/C(=C\c2ccccc2O)S1
InChIInChI=1S/C18H14N2O3S/c21-14-9-5-4-8-13(14)11-15-17(23)20-18(24-15)19-16(22)10-12-6-2-1-3-7-12/h1-9,11,21H,10H2,(H,19,20,22,23)/b15-11+
InChIKeyUFBGIDSRRHQJCP-RVDMUPIBSA-N
XLogP2.72
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide (CID 163199645) is N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1=NC(=O)/C(=C\c2ccccc2O)S1.
What is the InChIKey of N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is UFBGIDSRRHQJCP-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H14N2O3S/c21-14-9-5-4-8-13(14)11-15-17(23)20-18(24-15)19-16(22)10-12-6-2-1-3-7-12/h1-9,11,21H,10H2,(H,19,20,22,23)/b15-11+.
What are the key properties of N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide?
N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 338.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 163199645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).