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

C14H11N5S — CID 2125569

IUPAC4-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(/N=N/c2cccnc2)s1
InChIInChI=1S/C14H11N5S/c15-14-17-12(10-5-2-1-3-6-10)13(20-14)19-18-11-7-4-8-16-9-11/h1-9H,(H2,15,17)/b19-18+
InChIKeyNLQPAAQDHWXFGX-VHEBQXMUSA-N
MW281.34 g/mol
LogP4.20
Rot. Bonds3

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

4-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine (PubChem CID 2125569) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine
PubChem CID2125569
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name4-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(/N=N/c2cccnc2)s1
InChIInChI=1S/C14H11N5S/c15-14-17-12(10-5-2-1-3-6-10)13(20-14)19-18-11-7-4-8-16-9-11/h1-9H,(H2,15,17)/b19-18+
InChIKeyNLQPAAQDHWXFGX-VHEBQXMUSA-N
XLogP4.20
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine (CID 2125569) is 4-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2)c(/N=N/c2cccnc2)s1.
What is the InChIKey of 4-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine?
The InChIKey is NLQPAAQDHWXFGX-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H11N5S/c15-14-17-12(10-5-2-1-3-6-10)13(20-14)19-18-11-7-4-8-16-9-11/h1-9H,(H2,15,17)/b19-18+.
What are the key properties of 4-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine?
4-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine has a molecular weight of 281.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(pyridin-3-yldiazenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2125569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).