triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate

C35H29N5SSi — CID 46933831

IUPACtriphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate
SMILESN/C(=N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)S[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H29N5SSi/c36-35(38-37-26-29-27-40(30-18-8-2-9-19-30)39-34(29)28-16-6-1-7-17-28)41-42(31-20-10-3-11-21-31,32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-27H,(H2,36,38)/b37-26+
InChIKeyXKBAKVXHJXTKOT-AVLPFNLUSA-N
MW579.81 g/mol
LogP5.59
Rot. Bonds8

About triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate

triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate (PubChem CID 46933831) has the molecular formula C35H29N5SSi and a molecular weight of 579.81 g/mol. Its IUPAC name is triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate.

Molecular Properties

Compound Nametriphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate
PubChem CID46933831
Molecular FormulaC35H29N5SSi
Molecular Weight579.81 g/mol
Exact Mass579.19
IUPAC Nametriphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate
SMILESN/C(=N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)S[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H29N5SSi/c36-35(38-37-26-29-27-40(30-18-8-2-9-19-30)39-34(29)28-16-6-1-7-17-28)41-42(31-20-10-3-11-21-31,32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-27H,(H2,36,38)/b37-26+
InChIKeyXKBAKVXHJXTKOT-AVLPFNLUSA-N
XLogP5.59
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.81
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine
CID 2346353
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-N-phenylaniline
CID 4605585
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine
CID 2488828
(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2360790
(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5399521
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688370
(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688371
(E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine
CID 21236357
2-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 3727889
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-N-(4-methylphenyl)quinoline-2-carboximidamide
CID 135602467

Frequently Asked Questions

What is the IUPAC name of triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate?
The IUPAC name of triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate (CID 46933831) is triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate.
What is the SMILES notation for triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate?
The canonical SMILES for triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate is N/C(=N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)S[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate?
The InChIKey is XKBAKVXHJXTKOT-AVLPFNLUSA-N. The full InChI is InChI=1S/C35H29N5SSi/c36-35(38-37-26-29-27-40(30-18-8-2-9-19-30)39-34(29)28-16-6-1-7-17-28)41-42(31-20-10-3-11-21-31,32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-27H,(H2,36,38)/b37-26+.
What are the key properties of triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate?
triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate has a molecular weight of 579.81 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate is sourced from PubChem (CID 46933831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).