[4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene

C13H10N4OS — CID 91590739

IUPAC[4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene
SMILESc1csc(C/N=N/c2ccc(-c3cnco3)cc2)n1
InChIInChI=1S/C13H10N4OS/c1-3-11(17-16-8-13-15-5-6-19-13)4-2-10(1)12-7-14-9-18-12/h1-7,9H,8H2/b17-16+
InChIKeyDMAZQCWGJCBODX-WUKNDPDISA-N
MW270.32 g/mol
LogP4.08
Rot. Bonds4

About [4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene

[4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene (PubChem CID 91590739) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is [4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene.

Molecular Properties

Compound Name[4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene
PubChem CID91590739
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name[4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene
SMILESc1csc(C/N=N/c2ccc(-c3cnco3)cc2)n1
InChIInChI=1S/C13H10N4OS/c1-3-11(17-16-8-13-15-5-6-19-13)4-2-10(1)12-7-14-9-18-12/h1-7,9H,8H2/b17-16+
InChIKeyDMAZQCWGJCBODX-WUKNDPDISA-N
XLogP4.08
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
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-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene?
The IUPAC name of [4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene (CID 91590739) is [4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene.
What is the SMILES notation for [4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene?
The canonical SMILES for [4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene is c1csc(C/N=N/c2ccc(-c3cnco3)cc2)n1.
What is the InChIKey of [4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene?
The InChIKey is DMAZQCWGJCBODX-WUKNDPDISA-N. The full InChI is InChI=1S/C13H10N4OS/c1-3-11(17-16-8-13-15-5-6-19-13)4-2-10(1)12-7-14-9-18-12/h1-7,9H,8H2/b17-16+.
What are the key properties of [4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene?
[4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene has a molecular weight of 270.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene is sourced from PubChem (CID 91590739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).