2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol

C18H32N2O2SSi — CID 90780403

IUPAC2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol
SMILESCC(C)(C)[Si](C)(C)OCCc1sc(NC2CC3CCC2C3)nc1O
InChIInChI=1S/C18H32N2O2SSi/c1-18(2,3)24(4,5)22-9-8-15-16(21)20-17(23-15)19-14-11-12-6-7-13(14)10-12/h12-14,21H,6-11H2,1-5H3,(H,19,20)
InChIKeyWBTHKPQEURNKAX-UHFFFAOYSA-N
MW368.62 g/mol
LogP5.01
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol

2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol (PubChem CID 90780403) has the molecular formula C18H32N2O2SSi and a molecular weight of 368.62 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol
PubChem CID90780403
Molecular FormulaC18H32N2O2SSi
Molecular Weight368.62 g/mol
Exact Mass368.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol
SMILESCC(C)(C)[Si](C)(C)OCCc1sc(NC2CC3CCC2C3)nc1O
InChIInChI=1S/C18H32N2O2SSi/c1-18(2,3)24(4,5)22-9-8-15-16(21)20-17(23-15)19-14-11-12-6-7-13(14)10-12/h12-14,21H,6-11H2,1-5H3,(H,19,20)
InChIKeyWBTHKPQEURNKAX-UHFFFAOYSA-N
XLogP5.01
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.62
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol (CID 90780403) is 2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol is CC(C)(C)[Si](C)(C)OCCc1sc(NC2CC3CCC2C3)nc1O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol?
The InChIKey is WBTHKPQEURNKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2SSi/c1-18(2,3)24(4,5)22-9-8-15-16(21)20-17(23-15)19-14-11-12-6-7-13(14)10-12/h12-14,21H,6-11H2,1-5H3,(H,19,20).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol?
2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol has a molecular weight of 368.62 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 90780403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).