tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane

C18H22N2OSSi — CID 151333152

IUPACtert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2nc(-c3cccnc3)sc2c1
InChIInChI=1S/C18H22N2OSSi/c1-18(2,3)23(4,5)21-14-8-9-15-16(11-14)22-17(20-15)13-7-6-10-19-12-13/h6-12H,1-5H3
InChIKeyOIWRBGXDWJASLD-UHFFFAOYSA-N
MW342.54 g/mol
LogP5.74
Rot. Bonds3

About tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane

tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane (PubChem CID 151333152) has the molecular formula C18H22N2OSSi and a molecular weight of 342.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane
PubChem CID151333152
Molecular FormulaC18H22N2OSSi
Molecular Weight342.54 g/mol
Exact Mass342.12
IUPAC Nametert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2nc(-c3cccnc3)sc2c1
InChIInChI=1S/C18H22N2OSSi/c1-18(2,3)23(4,5)21-14-8-9-15-16(11-14)22-17(20-15)13-7-6-10-19-12-13/h6-12H,1-5H3
InChIKeyOIWRBGXDWJASLD-UHFFFAOYSA-N
XLogP5.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.54
LogP ≤ 55.74
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-pyridin-3-yl-1,3-benzothiazole-6-carboxylic acid
CID 39105580
N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine
CID 125495213
tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate
CID 150876946
6-pyridin-2-yl-2-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridine
CID 121378342
6-(3-ethylsulfanylphenyl)-2-pyridin-3-yl-1,3-benzothiazole
CID 125469311
2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole
CID 58480092
6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 108779961
6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
CID 25232186
2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine
CID 82190090
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane (CID 151333152) is tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane is CC(C)(C)[Si](C)(C)Oc1ccc2nc(-c3cccnc3)sc2c1.
What is the InChIKey of tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane?
The InChIKey is OIWRBGXDWJASLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OSSi/c1-18(2,3)23(4,5)21-14-8-9-15-16(11-14)22-17(20-15)13-7-6-10-19-12-13/h6-12H,1-5H3.
What are the key properties of tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane?
tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane has a molecular weight of 342.54 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane is sourced from PubChem (CID 151333152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).