(4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene

C22H14ClN5S — CID 14920703

IUPAC(4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene
SMILESClc1ccc(/N=N/c2sc3nc(-c4ccccc4)nn3c2-c2ccccc2)cc1
InChIInChI=1S/C22H14ClN5S/c23-17-11-13-18(14-12-17)25-26-21-19(15-7-3-1-4-8-15)28-22(29-21)24-20(27-28)16-9-5-2-6-10-16/h1-14H/b26-25+
InChIKeyCCELRZFGWOQJPH-OCEACIFDSA-N
MW415.91 g/mol
LogP7.19
Rot. Bonds4

About (4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene

(4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene (PubChem CID 14920703) has the molecular formula C22H14ClN5S and a molecular weight of 415.91 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene
PubChem CID14920703
Molecular FormulaC22H14ClN5S
Molecular Weight415.91 g/mol
Exact Mass415.07
IUPAC Name(4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene
SMILESClc1ccc(/N=N/c2sc3nc(-c4ccccc4)nn3c2-c2ccccc2)cc1
InChIInChI=1S/C22H14ClN5S/c23-17-11-13-18(14-12-17)25-26-21-19(15-7-3-1-4-8-15)28-22(29-21)24-20(27-28)16-9-5-2-6-10-16/h1-14H/b26-25+
InChIKeyCCELRZFGWOQJPH-OCEACIFDSA-N
XLogP7.19
TPSA54.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.91
LogP ≤ 57.19
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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Related Compounds

phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene
CID 14906114
5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 132991713
2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate
CID 6927290
5-[(2,4-dichlorophenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2874337
2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498295
6-chloro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 102337827
5-[(2-fluorophenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3547902
1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone
CID 10907516
5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole
CID 86217654
2-(4-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3429749
N-(4-chlorophenyl)-6-ethyl-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433823
(5E)-5-[(4-chlorophenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 699999

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene?
The IUPAC name of (4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene (CID 14920703) is (4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene.
What is the SMILES notation for (4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene?
The canonical SMILES for (4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene is Clc1ccc(/N=N/c2sc3nc(-c4ccccc4)nn3c2-c2ccccc2)cc1.
What is the InChIKey of (4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene?
The InChIKey is CCELRZFGWOQJPH-OCEACIFDSA-N. The full InChI is InChI=1S/C22H14ClN5S/c23-17-11-13-18(14-12-17)25-26-21-19(15-7-3-1-4-8-15)28-22(29-21)24-20(27-28)16-9-5-2-6-10-16/h1-14H/b26-25+.
What are the key properties of (4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene?
(4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene has a molecular weight of 415.91 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene is sourced from PubChem (CID 14920703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).