5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine

C19H14N4S — CID 3756266

IUPAC5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(/N=N/c2cccc3ccccc23)s1
InChIInChI=1S/C19H14N4S/c20-19-21-17(14-8-2-1-3-9-14)18(24-19)23-22-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,(H2,20,21)/b23-22+
InChIKeyQAEAFNVULNJJSX-GHVJWSGMSA-N
MW330.42 g/mol
LogP5.96
Rot. Bonds3

About 5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine

5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 3756266) has the molecular formula C19H14N4S and a molecular weight of 330.42 g/mol. Its IUPAC name is 5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID3756266
Molecular FormulaC19H14N4S
Molecular Weight330.42 g/mol
Exact Mass330.09
IUPAC Name5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(/N=N/c2cccc3ccccc23)s1
InChIInChI=1S/C19H14N4S/c20-19-21-17(14-8-2-1-3-9-14)18(24-19)23-22-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,(H2,20,21)/b23-22+
InChIKeyQAEAFNVULNJJSX-GHVJWSGMSA-N
XLogP5.96
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.42
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine (CID 3756266) is 5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2)c(/N=N/c2cccc3ccccc23)s1.
What is the InChIKey of 5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is QAEAFNVULNJJSX-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H14N4S/c20-19-21-17(14-8-2-1-3-9-14)18(24-19)23-22-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,(H2,20,21)/b23-22+.
What are the key properties of 5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine?
5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 330.42 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-yldiazenyl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3756266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).