tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane

C21H32N2OSSi — CID 175933387

IUPACtert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(N2CCC[C@@H]2c2cscn2)cc1
InChIInChI=1S/C21H32N2OSSi/c1-16(24-26(5,6)21(2,3)4)17-9-11-18(12-10-17)23-13-7-8-20(23)19-14-25-15-22-19/h9-12,14-16,20H,7-8,13H2,1-6H3/t16-,20-/m1/s1
InChIKeyUIPCBVIVMVONMQ-OXQOHEQNSA-N
MW388.65 g/mol
LogP6.57
Rot. Bonds5

About tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane

tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane (PubChem CID 175933387) has the molecular formula C21H32N2OSSi and a molecular weight of 388.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane
PubChem CID175933387
Molecular FormulaC21H32N2OSSi
Molecular Weight388.65 g/mol
Exact Mass388.20
IUPAC Nametert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(N2CCC[C@@H]2c2cscn2)cc1
InChIInChI=1S/C21H32N2OSSi/c1-16(24-26(5,6)21(2,3)4)17-9-11-18(12-10-17)23-13-7-8-20(23)19-14-25-15-22-19/h9-12,14-16,20H,7-8,13H2,1-6H3/t16-,20-/m1/s1
InChIKeyUIPCBVIVMVONMQ-OXQOHEQNSA-N
XLogP6.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.65
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane (CID 175933387) is tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane is C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(N2CCC[C@@H]2c2cscn2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane?
The InChIKey is UIPCBVIVMVONMQ-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H32N2OSSi/c1-16(24-26(5,6)21(2,3)4)17-9-11-18(12-10-17)23-13-7-8-20(23)19-14-25-15-22-19/h9-12,14-16,20H,7-8,13H2,1-6H3/t16-,20-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane?
tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane has a molecular weight of 388.65 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane is sourced from PubChem (CID 175933387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).