1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene

C26H22N4S — CID 123340275

IUPAC1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene
SMILESCC(/N=N/c1nc(-c2ccccc2)cs1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H22N4S/c1-19(28-29-26-27-24(18-31-26)21-12-6-3-7-13-21)23-17-30(16-20-10-4-2-5-11-20)25-15-9-8-14-22(23)25/h2-15,17-19H,16H2,1H3/b29-28+
InChIKeyNWBKALOGXPXDST-ZQHSETAFSA-N
MW422.56 g/mol
LogP7.66
Rot. Bonds6

About 1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene

1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene (PubChem CID 123340275) has the molecular formula C26H22N4S and a molecular weight of 422.56 g/mol. Its IUPAC name is 1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene.

Molecular Properties

Compound Name1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene
PubChem CID123340275
Molecular FormulaC26H22N4S
Molecular Weight422.56 g/mol
Exact Mass422.16
IUPAC Name1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene
SMILESCC(/N=N/c1nc(-c2ccccc2)cs1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H22N4S/c1-19(28-29-26-27-24(18-31-26)21-12-6-3-7-13-21)23-17-30(16-20-10-4-2-5-11-20)25-15-9-8-14-22(23)25/h2-15,17-19H,16H2,1H3/b29-28+
InChIKeyNWBKALOGXPXDST-ZQHSETAFSA-N
XLogP7.66
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.56
LogP ≤ 57.66
H-Bond Donors ≤ 50
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 1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene?
The IUPAC name of 1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene (CID 123340275) is 1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene.
What is the SMILES notation for 1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene?
The canonical SMILES for 1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene is CC(/N=N/c1nc(-c2ccccc2)cs1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene?
The InChIKey is NWBKALOGXPXDST-ZQHSETAFSA-N. The full InChI is InChI=1S/C26H22N4S/c1-19(28-29-26-27-24(18-31-26)21-12-6-3-7-13-21)23-17-30(16-20-10-4-2-5-11-20)25-15-9-8-14-22(23)25/h2-15,17-19H,16H2,1H3/b29-28+.
What are the key properties of 1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene?
1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene has a molecular weight of 422.56 g/mol, XLogP of 7.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindol-3-yl)ethyl-(4-phenyl-1,3-thiazol-2-yl)diazene is sourced from PubChem (CID 123340275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).