tert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate

C15H21ClN2O2SSi — CID 174038733

IUPACtert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1nc(Cl)sc1C2=[SiH2]
InChIInChI=1S/C15H21ClN2O2SSi/c1-14(2,3)20-13(19)18-6-4-15(5-7-18)8-9-10(11(15)22)21-12(16)17-9/h4-8,22H2,1-3H3
InChIKeyBNYVIGAGDJRXSP-UHFFFAOYSA-N
MW356.95 g/mol
LogP2.52
Rot. Bonds

About tert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate

tert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate (PubChem CID 174038733) has the molecular formula C15H21ClN2O2SSi and a molecular weight of 356.95 g/mol. Its IUPAC name is tert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
PubChem CID174038733
Molecular FormulaC15H21ClN2O2SSi
Molecular Weight356.95 g/mol
Exact Mass356.08
IUPAC Nametert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1nc(Cl)sc1C2=[SiH2]
InChIInChI=1S/C15H21ClN2O2SSi/c1-14(2,3)20-13(19)18-6-4-15(5-7-18)8-9-10(11(15)22)21-12(16)17-9/h4-8,22H2,1-3H3
InChIKeyBNYVIGAGDJRXSP-UHFFFAOYSA-N
XLogP2.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.95
LogP ≤ 52.52
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

tert-butyl (6Z)-6-[(R)-tert-butylsulfinyl]imino-2-methylspiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 155623250
tert-butyl (4R)-4-[[(R)-tert-butylsulfinyl]amino]-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 155164146
tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 155388346
tert-butyl 3-fluoro-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 146485823
tert-butyl 4,4-dimethyl-5-oxoazepane-1-carboxylate
CID 118230377
tert-butyl-[[2-chloro-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-ylidene]amino]-oxidosulfanium
CID 174004877
tert-butyl 4-(2,6-dichloro-4-pyridinyl)-4-methylpiperidine-1-carboxylate
CID 122503159
tert-butyl 5-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379509
tert-butyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 14371816
tert-butyl 2-chloro-4-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-6-carboxylate
CID 138670645
tert-butyl 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperazine-1-carboxylate
CID 114518367
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate (CID 174038733) is tert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)Cc1nc(Cl)sc1C2=[SiH2].
What is the InChIKey of tert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
The InChIKey is BNYVIGAGDJRXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2SSi/c1-14(2,3)20-13(19)18-6-4-15(5-7-18)8-9-10(11(15)22)21-12(16)17-9/h4-8,22H2,1-3H3.
What are the key properties of tert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
tert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate has a molecular weight of 356.95 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-chloro-6-silylidenespiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 174038733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).