3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine

C13H11N5OS — CID 139235509

IUPAC3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine
SMILESCc1noc(N)c1/N=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H11N5OS/c1-8-11(12(14)19-18-8)16-17-13-15-10(7-20-13)9-5-3-2-4-6-9/h2-7H,14H2,1H3/b17-16+
InChIKeyDPHISSFGMUXPPF-WUKNDPDISA-N
MW285.33 g/mol
LogP4.10
Rot. Bonds3

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

3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine (PubChem CID 139235509) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine
PubChem CID139235509
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine
SMILESCc1noc(N)c1/N=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H11N5OS/c1-8-11(12(14)19-18-8)16-17-13-15-10(7-20-13)9-5-3-2-4-6-9/h2-7H,14H2,1H3/b17-16+
InChIKeyDPHISSFGMUXPPF-WUKNDPDISA-N
XLogP4.10
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine (CID 139235509) is 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine is Cc1noc(N)c1/N=N/c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine?
The InChIKey is DPHISSFGMUXPPF-WUKNDPDISA-N. The full InChI is InChI=1S/C13H11N5OS/c1-8-11(12(14)19-18-8)16-17-13-15-10(7-20-13)9-5-3-2-4-6-9/h2-7H,14H2,1H3/b17-16+.
What are the key properties of 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine?
3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine has a molecular weight of 285.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 139235509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).