actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide

C20H20AcBrN3O2S — CID 20815393

IUPACactinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide
SMILESO=C(CO)NCCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccccc1.[Ac]
InChIInChI=1S/C20H20BrN3O2S.Ac/c21-16-9-7-15(8-10-16)18-14-27-20(23-17-5-2-1-3-6-17)24(18)12-4-11-22-19(26)13-25;/h1-3,5-10,14,25H,4,11-13H2,(H,22,26);/b23-20-;
InChIKeyAOHRWNLAVJAAON-QTXBERLJSA-N
MW673.37 g/mol
LogP3.71
Rot. Bonds7

About actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide

actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide (PubChem CID 20815393) has the molecular formula C20H20AcBrN3O2S and a molecular weight of 673.37 g/mol. Its IUPAC name is actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide.

Molecular Properties

Compound Nameactinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide
PubChem CID20815393
Molecular FormulaC20H20AcBrN3O2S
Molecular Weight673.37 g/mol
Exact Mass672.07
IUPAC Nameactinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide
SMILESO=C(CO)NCCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccccc1.[Ac]
InChIInChI=1S/C20H20BrN3O2S.Ac/c21-16-9-7-15(8-10-16)18-14-27-20(23-17-5-2-1-3-6-17)24(18)12-4-11-22-19(26)13-25;/h1-3,5-10,14,25H,4,11-13H2,(H,22,26);/b23-20-;
InChIKeyAOHRWNLAVJAAON-QTXBERLJSA-N
XLogP3.71
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500673.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide?
The IUPAC name of actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide (CID 20815393) is actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide.
What is the SMILES notation for actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide?
The canonical SMILES for actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide is O=C(CO)NCCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccccc1.[Ac].
What is the InChIKey of actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide?
The InChIKey is AOHRWNLAVJAAON-QTXBERLJSA-N. The full InChI is InChI=1S/C20H20BrN3O2S.Ac/c21-16-9-7-15(8-10-16)18-14-27-20(23-17-5-2-1-3-6-17)24(18)12-4-11-22-19(26)13-25;/h1-3,5-10,14,25H,4,11-13H2,(H,22,26);/b23-20-;.
What are the key properties of actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide?
actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide has a molecular weight of 673.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide is sourced from PubChem (CID 20815393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).