[7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene

C28H22N6S — CID 135923170

IUPAC[7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene
SMILESCc1nc(-c2ccccc2)sc1-c1nc2c(C)c(-c3ccccc3)[nH]n2c1/N=N/c1ccccc1
InChIInChI=1S/C28H22N6S/c1-18-23(20-12-6-3-7-13-20)33-34-26(18)30-24(27(34)32-31-22-16-10-5-11-17-22)25-19(2)29-28(35-25)21-14-8-4-9-15-21/h3-17,33H,1-2H3/b32-31+
InChIKeyAXVLBZQBBARQLX-QNEJGDQOSA-N
MW474.59 g/mol
LogP8.15
Rot. Bonds5

About [7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene

[7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene (PubChem CID 135923170) has the molecular formula C28H22N6S and a molecular weight of 474.59 g/mol. Its IUPAC name is [7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene.

Molecular Properties

Compound Name[7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene
PubChem CID135923170
Molecular FormulaC28H22N6S
Molecular Weight474.59 g/mol
Exact Mass474.16
IUPAC Name[7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene
SMILESCc1nc(-c2ccccc2)sc1-c1nc2c(C)c(-c3ccccc3)[nH]n2c1/N=N/c1ccccc1
InChIInChI=1S/C28H22N6S/c1-18-23(20-12-6-3-7-13-20)33-34-26(18)30-24(27(34)32-31-22-16-10-5-11-17-22)25-19(2)29-28(35-25)21-14-8-4-9-15-21/h3-17,33H,1-2H3/b32-31+
InChIKeyAXVLBZQBBARQLX-QNEJGDQOSA-N
XLogP8.15
TPSA70.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.59
LogP ≤ 58.15
H-Bond Donors ≤ 51
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 [7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene?
The IUPAC name of [7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene (CID 135923170) is [7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene.
What is the SMILES notation for [7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene?
The canonical SMILES for [7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene is Cc1nc(-c2ccccc2)sc1-c1nc2c(C)c(-c3ccccc3)[nH]n2c1/N=N/c1ccccc1.
What is the InChIKey of [7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene?
The InChIKey is AXVLBZQBBARQLX-QNEJGDQOSA-N. The full InChI is InChI=1S/C28H22N6S/c1-18-23(20-12-6-3-7-13-20)33-34-26(18)30-24(27(34)32-31-22-16-10-5-11-17-22)25-19(2)29-28(35-25)21-14-8-4-9-15-21/h3-17,33H,1-2H3/b32-31+.
What are the key properties of [7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene?
[7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene has a molecular weight of 474.59 g/mol, XLogP of 8.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene is sourced from PubChem (CID 135923170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).