(4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene

C22H17N3S — CID 91152797

IUPAC(4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene
SMILESC(=Cc1ccccc1)C/N=N/c1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C22H17N3S/c1-2-8-17(9-3-1)10-7-15-23-25-22-24-21(16-26-22)20-14-6-12-18-11-4-5-13-19(18)20/h1-14,16H,15H2/b10-7?,25-23+
InChIKeyWYWDYXJPALOQFE-AYXVDKJSSA-N
MW355.47 g/mol
LogP6.76
Rot. Bonds5

About (4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene

(4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene (PubChem CID 91152797) has the molecular formula C22H17N3S and a molecular weight of 355.47 g/mol. Its IUPAC name is (4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene.

Molecular Properties

Compound Name(4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene
PubChem CID91152797
Molecular FormulaC22H17N3S
Molecular Weight355.47 g/mol
Exact Mass355.11
IUPAC Name(4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene
SMILESC(=Cc1ccccc1)C/N=N/c1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C22H17N3S/c1-2-8-17(9-3-1)10-7-15-23-25-22-24-21(16-26-22)20-14-6-12-18-11-4-5-13-19(18)20/h1-14,16H,15H2/b10-7?,25-23+
InChIKeyWYWDYXJPALOQFE-AYXVDKJSSA-N
XLogP6.76
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.47
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene?
The IUPAC name of (4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene (CID 91152797) is (4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene.
What is the SMILES notation for (4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene?
The canonical SMILES for (4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene is C(=Cc1ccccc1)C/N=N/c1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of (4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene?
The InChIKey is WYWDYXJPALOQFE-AYXVDKJSSA-N. The full InChI is InChI=1S/C22H17N3S/c1-2-8-17(9-3-1)10-7-15-23-25-22-24-21(16-26-22)20-14-6-12-18-11-4-5-13-19(18)20/h1-14,16H,15H2/b10-7?,25-23+.
What are the key properties of (4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene?
(4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene has a molecular weight of 355.47 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene is sourced from PubChem (CID 91152797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).