N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine

C17H26BrN3O2SSi — CID 68679187

IUPACN-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine
SMILESCOCn1ccsc1=Nc1cc(Br)cc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C17H26BrN3O2SSi/c1-17(2,3)25(5,6)23-11-14-9-13(18)10-15(19-14)20-16-21(12-22-4)7-8-24-16/h7-10H,11-12H2,1-6H3
InChIKeyUHJYDOCXRYWPDW-UHFFFAOYSA-N
MW444.47 g/mol
LogP5.07
Rot. Bonds6

About N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine

N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine (PubChem CID 68679187) has the molecular formula C17H26BrN3O2SSi and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine
PubChem CID68679187
Molecular FormulaC17H26BrN3O2SSi
Molecular Weight444.47 g/mol
Exact Mass443.07
IUPAC NameN-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine
SMILESCOCn1ccsc1=Nc1cc(Br)cc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C17H26BrN3O2SSi/c1-17(2,3)25(5,6)23-11-14-9-13(18)10-15(19-14)20-16-21(12-22-4)7-8-24-16/h7-10H,11-12H2,1-6H3
InChIKeyUHJYDOCXRYWPDW-UHFFFAOYSA-N
XLogP5.07
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.47
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine?
The IUPAC name of N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine (CID 68679187) is N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine is COCn1ccsc1=Nc1cc(Br)cc(CO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine?
The InChIKey is UHJYDOCXRYWPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O2SSi/c1-17(2,3)25(5,6)23-11-14-9-13(18)10-15(19-14)20-16-21(12-22-4)7-8-24-16/h7-10H,11-12H2,1-6H3.
What are the key properties of N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine?
N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine has a molecular weight of 444.47 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 68679187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).