5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine

C15H11BrN4S — CID 4194807

IUPAC5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(/N=N/c2cccc(Br)c2)s1
InChIInChI=1S/C15H11BrN4S/c16-11-7-4-8-12(9-11)19-20-14-13(18-15(17)21-14)10-5-2-1-3-6-10/h1-9H,(H2,17,18)/b20-19+
InChIKeyCANWMVDFBCZWHY-FMQUCBEESA-N
MW359.25 g/mol
LogP5.57
Rot. Bonds3

About 5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine

5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 4194807) has the molecular formula C15H11BrN4S and a molecular weight of 359.25 g/mol. Its IUPAC name is 5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID4194807
Molecular FormulaC15H11BrN4S
Molecular Weight359.25 g/mol
Exact Mass357.99
IUPAC Name5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(/N=N/c2cccc(Br)c2)s1
InChIInChI=1S/C15H11BrN4S/c16-11-7-4-8-12(9-11)19-20-14-13(18-15(17)21-14)10-5-2-1-3-6-10/h1-9H,(H2,17,18)/b20-19+
InChIKeyCANWMVDFBCZWHY-FMQUCBEESA-N
XLogP5.57
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.25
LogP ≤ 55.57
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-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine (CID 4194807) is 5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2)c(/N=N/c2cccc(Br)c2)s1.
What is the InChIKey of 5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is CANWMVDFBCZWHY-FMQUCBEESA-N. The full InChI is InChI=1S/C15H11BrN4S/c16-11-7-4-8-12(9-11)19-20-14-13(18-15(17)21-14)10-5-2-1-3-6-10/h1-9H,(H2,17,18)/b20-19+.
What are the key properties of 5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine?
5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 359.25 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 4194807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).