[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene

C24H18ClN3S — CID 91218198

IUPAC[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene
SMILESClc1ccc(-c2nc(/N=N/CC=Cc3ccccc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C24H18ClN3S/c25-21-15-13-19(14-16-21)22-23(20-11-5-2-6-12-20)29-24(27-22)28-26-17-7-10-18-8-3-1-4-9-18/h1-16H,17H2/b10-7?,28-26+
InChIKeyAAIGACNWJDVXCS-CFAANBTNSA-N
MW415.95 g/mol
LogP7.93
Rot. Bonds6

About [4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene

[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene (PubChem CID 91218198) has the molecular formula C24H18ClN3S and a molecular weight of 415.95 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene
PubChem CID91218198
Molecular FormulaC24H18ClN3S
Molecular Weight415.95 g/mol
Exact Mass415.09
IUPAC Name[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene
SMILESClc1ccc(-c2nc(/N=N/CC=Cc3ccccc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C24H18ClN3S/c25-21-15-13-19(14-16-21)22-23(20-11-5-2-6-12-20)29-24(27-22)28-26-17-7-10-18-8-3-1-4-9-18/h1-16H,17H2/b10-7?,28-26+
InChIKeyAAIGACNWJDVXCS-CFAANBTNSA-N
XLogP7.93
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.95
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene?
The IUPAC name of [4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene (CID 91218198) is [4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene.
What is the SMILES notation for [4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene?
The canonical SMILES for [4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene is Clc1ccc(-c2nc(/N=N/CC=Cc3ccccc3)sc2-c2ccccc2)cc1.
What is the InChIKey of [4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene?
The InChIKey is AAIGACNWJDVXCS-CFAANBTNSA-N. The full InChI is InChI=1S/C24H18ClN3S/c25-21-15-13-19(14-16-21)22-23(20-11-5-2-6-12-20)29-24(27-22)28-26-17-7-10-18-8-3-1-4-9-18/h1-16H,17H2/b10-7?,28-26+.
What are the key properties of [4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene?
[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene has a molecular weight of 415.95 g/mol, XLogP of 7.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene is sourced from PubChem (CID 91218198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).