phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene

C21H14N4S — CID 14906114

IUPACphenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene
SMILESc1ccc(/N=N/c2sc3nc4ccccc4n3c2-c2ccccc2)cc1
InChIInChI=1S/C21H14N4S/c1-3-9-15(10-4-1)19-20(24-23-16-11-5-2-6-12-16)26-21-22-17-13-7-8-14-18(17)25(19)21/h1-14H/b24-23+
InChIKeySLOGHAXVCDUBAC-WCWDXBQESA-N
MW354.44 g/mol
LogP6.63
Rot. Bonds3

About phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene

phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene (PubChem CID 14906114) has the molecular formula C21H14N4S and a molecular weight of 354.44 g/mol. Its IUPAC name is phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene.

Molecular Properties

Compound Namephenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene
PubChem CID14906114
Molecular FormulaC21H14N4S
Molecular Weight354.44 g/mol
Exact Mass354.09
IUPAC Namephenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene
SMILESc1ccc(/N=N/c2sc3nc4ccccc4n3c2-c2ccccc2)cc1
InChIInChI=1S/C21H14N4S/c1-3-9-15(10-4-1)19-20(24-23-16-11-5-2-6-12-16)26-21-22-17-13-7-8-14-18(17)25(19)21/h1-14H/b24-23+
InChIKeySLOGHAXVCDUBAC-WCWDXBQESA-N
XLogP6.63
TPSA42.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.44
LogP ≤ 56.63
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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Related Compounds

2-phenyl-[1,3]thiazolo[3,2-a]benzimidazole
CID 4694439
(4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene
CID 14920703
2-methyl-1-phenylimidazo[2,1-b][1,3]benzothiazole
CID 142553581
4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine
CID 12782582
4-[4-(3-phenylquinoxalin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 170193584
4-phenylpyrimido[1,2-a]benzimidazol-2-amine
CID 2825239
(2,4-dimethyl-1,3-thiazol-5-yl)-phenyldiazene
CID 14222602
6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene
CID 134409661
2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one
CID 12072605
ethane;4-methyl-17-thia-1,8,15,19-tetrazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 145383764
(4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene
CID 11358523
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,23-dithia-14,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,21-decaene
CID 170193811

Frequently Asked Questions

What is the IUPAC name of phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene?
The IUPAC name of phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene (CID 14906114) is phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene.
What is the SMILES notation for phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene?
The canonical SMILES for phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene is c1ccc(/N=N/c2sc3nc4ccccc4n3c2-c2ccccc2)cc1.
What is the InChIKey of phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene?
The InChIKey is SLOGHAXVCDUBAC-WCWDXBQESA-N. The full InChI is InChI=1S/C21H14N4S/c1-3-9-15(10-4-1)19-20(24-23-16-11-5-2-6-12-16)26-21-22-17-13-7-8-14-18(17)25(19)21/h1-14H/b24-23+.
What are the key properties of phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene?
phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene has a molecular weight of 354.44 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene is sourced from PubChem (CID 14906114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).