tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane

C19H22N2S2Si — CID 23126643

IUPACtert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane
SMILESCC(C)(C)[Si](SCc1csnn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2S2Si/c1-19(2,3)24(17-10-6-4-7-11-17,18-12-8-5-9-13-18)23-15-16-14-22-21-20-16/h4-14H,15H2,1-3H3
InChIKeyIKAVBNSMYZSEEZ-UHFFFAOYSA-N
MW370.62 g/mol
LogP4.33
Rot. Bonds5

About tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane

tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane (PubChem CID 23126643) has the molecular formula C19H22N2S2Si and a molecular weight of 370.62 g/mol. Its IUPAC name is tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane
PubChem CID23126643
Molecular FormulaC19H22N2S2Si
Molecular Weight370.62 g/mol
Exact Mass370.10
IUPAC Nametert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane
SMILESCC(C)(C)[Si](SCc1csnn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2S2Si/c1-19(2,3)24(17-10-6-4-7-11-17,18-12-8-5-9-13-18)23-15-16-14-22-21-20-16/h4-14H,15H2,1-3H3
InChIKeyIKAVBNSMYZSEEZ-UHFFFAOYSA-N
XLogP4.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.62
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 115905021
1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 86816772
2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 66251310
2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
3-hydroxy-3-methyl-1-(thiadiazol-4-yl)butan-2-one
CID 130550346
4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole
CID 146149095
2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol
CID 106186625
1-phenyl-3-(thiadiazol-4-ylmethyl)urea
CID 174441234
potassium ditert-butyl-oxido-phenylsilane
CID 101338176
2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478947
4-(pyrrol-1-ylmethyl)thiadiazole
CID 130549918
4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 43673855

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane?
The IUPAC name of tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane (CID 23126643) is tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane.
What is the SMILES notation for tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane?
The canonical SMILES for tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane is CC(C)(C)[Si](SCc1csnn1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane?
The InChIKey is IKAVBNSMYZSEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S2Si/c1-19(2,3)24(17-10-6-4-7-11-17,18-12-8-5-9-13-18)23-15-16-14-22-21-20-16/h4-14H,15H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane?
tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane has a molecular weight of 370.62 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane is sourced from PubChem (CID 23126643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).