tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate

C13H19N3O2S — CID 170352428

IUPACtert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCc3sc(N)nc32)C1
InChIInChI=1S/C13H19N3O2S/c1-12(2,3)18-11(17)16-6-13(7-16)5-4-8-9(13)15-10(14)19-8/h4-7H2,1-3H3,(H2,14,15)
InChIKeyOXGISQNOMPYNQV-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.16
Rot. Bonds

About tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate

tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate (PubChem CID 170352428) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate
PubChem CID170352428
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Nametert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCc3sc(N)nc32)C1
InChIInChI=1S/C13H19N3O2S/c1-12(2,3)18-11(17)16-6-13(7-16)5-4-8-9(13)15-10(14)19-8/h4-7H2,1-3H3,(H2,14,15)
InChIKeyOXGISQNOMPYNQV-UHFFFAOYSA-N
XLogP2.16
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine
CID 170352167
Tert-butyl (2-amino-5,6-dihydro-4H-cyclopenta[D]thiazol-5-YL)carbamate
CID 138110144

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate (CID 170352428) is tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CC2(CCc3sc(N)nc32)C1.
What is the InChIKey of tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate?
The InChIKey is OXGISQNOMPYNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-12(2,3)18-11(17)16-6-13(7-16)5-4-8-9(13)15-10(14)19-8/h4-7H2,1-3H3,(H2,14,15).
What are the key properties of tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate?
tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate is sourced from PubChem (CID 170352428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).