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

C19H27ClN2O3S — CID 175736625

IUPACtert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(Cc3nc(Cl)sc3C2=O)CC1C(C)(C)C
InChIInChI=1S/C19H27ClN2O3S/c1-17(2,3)12-10-19(7-8-22(12)16(24)25-18(4,5)6)9-11-13(14(19)23)26-15(20)21-11/h12H,7-10H2,1-6H3
InChIKeyNNZLYGAIUYBEEG-UHFFFAOYSA-N
MW398.96 g/mol
LogP4.97
Rot. Bonds

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

tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate (PubChem CID 175736625) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
PubChem CID175736625
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC Nametert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(Cc3nc(Cl)sc3C2=O)CC1C(C)(C)C
InChIInChI=1S/C19H27ClN2O3S/c1-17(2,3)12-10-19(7-8-22(12)16(24)25-18(4,5)6)9-11-13(14(19)23)26-15(20)21-11/h12H,7-10H2,1-6H3
InChIKeyNNZLYGAIUYBEEG-UHFFFAOYSA-N
XLogP4.97
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

tert-Butyl 2-chloro-6-oxo-4,6-dihydrospiro[cyclopenta[d]thiazole-5,4'-piperidine]-1'-carboxylate
CID 142433864
tert-Butyl 2-chloro-4-oxo-4,6-dihydrospiro[cyclopenta[d]thiazole-5,4'-piperidine]-1'-carboxylate
CID 142434134
tert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 155164220
tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 156711836
Tert-butyl 2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 167307665
CID 171722754
CID 171722754
CID 171722792
CID 171722792
2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
CID 174240814
Tert-butyl 4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxopropanoyl]piperidine-1-carboxylate
CID 177750563
Tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 103724098

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate (CID 175736625) is tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(Cc3nc(Cl)sc3C2=O)CC1C(C)(C)C.
What is the InChIKey of tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
The InChIKey is NNZLYGAIUYBEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3S/c1-17(2,3)12-10-19(7-8-22(12)16(24)25-18(4,5)6)9-11-13(14(19)23)26-15(20)21-11/h12H,7-10H2,1-6H3.
What are the key properties of tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate has a molecular weight of 398.96 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 175736625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).