tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane

C19H28N2OSSi — CID 175089127

IUPACtert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(-c2cnc([C@@H]3CCCN3)s2)c1
InChIInChI=1S/C19H28N2OSSi/c1-19(2,3)24(4,5)22-15-9-6-8-14(12-15)17-13-21-18(23-17)16-10-7-11-20-16/h6,8-9,12-13,16,20H,7,10-11H2,1-5H3/t16-/m0/s1
InChIKeyVPNHHYPWWQUUFE-INIZCTEOSA-N
MW360.60 g/mol
LogP5.62
Rot. Bonds4

About tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane

tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane (PubChem CID 175089127) has the molecular formula C19H28N2OSSi and a molecular weight of 360.60 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane
PubChem CID175089127
Molecular FormulaC19H28N2OSSi
Molecular Weight360.60 g/mol
Exact Mass360.17
IUPAC Nametert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(-c2cnc([C@@H]3CCCN3)s2)c1
InChIInChI=1S/C19H28N2OSSi/c1-19(2,3)24(4,5)22-15-9-6-8-14(12-15)17-13-21-18(23-17)16-10-7-11-20-16/h6,8-9,12-13,16,20H,7,10-11H2,1-5H3/t16-/m0/s1
InChIKeyVPNHHYPWWQUUFE-INIZCTEOSA-N
XLogP5.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.60
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane (CID 175089127) is tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane is CC(C)(C)[Si](C)(C)Oc1cccc(-c2cnc([C@@H]3CCCN3)s2)c1.
What is the InChIKey of tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane?
The InChIKey is VPNHHYPWWQUUFE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2OSSi/c1-19(2,3)24(4,5)22-15-9-6-8-14(12-15)17-13-21-18(23-17)16-10-7-11-20-16/h6,8-9,12-13,16,20H,7,10-11H2,1-5H3/t16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane?
tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane has a molecular weight of 360.60 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane is sourced from PubChem (CID 175089127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).