N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline

C35H60N4O5SSi3 — CID 173131047

IUPACN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline
SMILESCCC(c1nc2ccc(/N=N/c3ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc3)cc2s1)[Si](OC)(OC)OC
InChIInChI=1S/C35H60N4O5SSi3/c1-15-32(48(40-8,41-9)42-10)33-36-30-21-18-28(26-31(30)45-33)38-37-27-16-19-29(20-17-27)39(22-24-43-46(11,12)34(2,3)4)23-25-44-47(13,14)35(5,6)7/h16-21,26,32H,15,22-25H2,1-14H3/b38-37+
InChIKeySAOWAZWNVFGCHH-HEFFKOSUSA-N
MW733.21 g/mol
LogP10.47
Rot. Bonds17

About N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline

N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline (PubChem CID 173131047) has the molecular formula C35H60N4O5SSi3 and a molecular weight of 733.21 g/mol. Its IUPAC name is N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline.

Molecular Properties

Compound NameN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline
PubChem CID173131047
Molecular FormulaC35H60N4O5SSi3
Molecular Weight733.21 g/mol
Exact Mass732.36
IUPAC NameN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline
SMILESCCC(c1nc2ccc(/N=N/c3ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc3)cc2s1)[Si](OC)(OC)OC
InChIInChI=1S/C35H60N4O5SSi3/c1-15-32(48(40-8,41-9)42-10)33-36-30-21-18-28(26-31(30)45-33)38-37-27-16-19-29(20-17-27)39(22-24-43-46(11,12)34(2,3)4)23-25-44-47(13,14)35(5,6)7/h16-21,26,32H,15,22-25H2,1-14H3/b38-37+
InChIKeySAOWAZWNVFGCHH-HEFFKOSUSA-N
XLogP10.47
TPSA87.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.21
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline?
The IUPAC name of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline (CID 173131047) is N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline.
What is the SMILES notation for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline?
The canonical SMILES for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline is CCC(c1nc2ccc(/N=N/c3ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc3)cc2s1)[Si](OC)(OC)OC.
What is the InChIKey of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline?
The InChIKey is SAOWAZWNVFGCHH-HEFFKOSUSA-N. The full InChI is InChI=1S/C35H60N4O5SSi3/c1-15-32(48(40-8,41-9)42-10)33-36-30-21-18-28(26-31(30)45-33)38-37-27-16-19-29(20-17-27)39(22-24-43-46(11,12)34(2,3)4)23-25-44-47(13,14)35(5,6)7/h16-21,26,32H,15,22-25H2,1-14H3/b38-37+.
What are the key properties of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline?
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline has a molecular weight of 733.21 g/mol, XLogP of 10.47, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[2-(1-trimethoxysilylpropyl)-1,3-benzothiazol-6-yl]diazenyl]aniline is sourced from PubChem (CID 173131047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).