tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate

C20H33N3O2S — CID 100623973

IUPACtert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@]2(CCN2Cc2csc(C(C)(C)C)n2)C1
InChIInChI=1S/C20H33N3O2S/c1-18(2,3)16-21-15(13-26-16)12-23-11-9-20(23)8-7-10-22(14-20)17(24)25-19(4,5)6/h13H,7-12,14H2,1-6H3/t20-/m1/s1
InChIKeyBVKHDORLPOBISI-HXUWFJFHSA-N
MW379.57 g/mol
LogP4.42
Rot. Bonds2

About tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate

tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate (PubChem CID 100623973) has the molecular formula C20H33N3O2S and a molecular weight of 379.57 g/mol. Its IUPAC name is tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
PubChem CID100623973
Molecular FormulaC20H33N3O2S
Molecular Weight379.57 g/mol
Exact Mass379.23
IUPAC Nametert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@]2(CCN2Cc2csc(C(C)(C)C)n2)C1
InChIInChI=1S/C20H33N3O2S/c1-18(2,3)16-21-15(13-26-16)12-23-11-9-20(23)8-7-10-22(14-20)17(24)25-19(4,5)6/h13H,7-12,14H2,1-6H3/t20-/m1/s1
InChIKeyBVKHDORLPOBISI-HXUWFJFHSA-N
XLogP4.42
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate with MolForge

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Related Compounds

tert-butyl (4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
CID 100623953
tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
CID 100716484
tert-butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 157149578
tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 90236843
tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate
CID 66888528
tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride
CID 138109545
tert-butyl 4-[N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111085186
[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-phenylmethanone
CID 134070367
tert-butyl 6-methyl-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 167717811
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
CID 176681845
tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
CID 176681969

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate?
The IUPAC name of tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate (CID 100623973) is tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate.
What is the SMILES notation for tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate?
The canonical SMILES for tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2Cc2csc(C(C)(C)C)n2)C1.
What is the InChIKey of tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate?
The InChIKey is BVKHDORLPOBISI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H33N3O2S/c1-18(2,3)16-21-15(13-26-16)12-23-11-9-20(23)8-7-10-22(14-20)17(24)25-19(4,5)6/h13H,7-12,14H2,1-6H3/t20-/m1/s1.
What are the key properties of tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate?
tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate has a molecular weight of 379.57 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate is sourced from PubChem (CID 100623973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).