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

C16H22N2O3S — CID 156711836

IUPACtert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
SMILESCc1nc2c(s1)CC1(CCN(C(=O)OC(C)(C)C)CC1)C2=O
InChIInChI=1S/C16H22N2O3S/c1-10-17-12-11(22-10)9-16(13(12)19)5-7-18(8-6-16)14(20)21-15(2,3)4/h5-9H2,1-4H3
InChIKeyJYVWJMVJEOZZFO-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.21
Rot. Bonds

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

tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate (PubChem CID 156711836) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
PubChem CID156711836
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Nametert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
SMILESCc1nc2c(s1)CC1(CCN(C(=O)OC(C)(C)C)CC1)C2=O
InChIInChI=1S/C16H22N2O3S/c1-10-17-12-11(22-10)9-16(13(12)19)5-7-18(8-6-16)14(20)21-15(2,3)4/h5-9H2,1-4H3
InChIKeyJYVWJMVJEOZZFO-UHFFFAOYSA-N
XLogP3.21
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-methyl-4-oxospiro[6H-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-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 167307665
CID 171722754
CID 171722754
CID 171722792
CID 171722792
tert-butyl-[[2-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-ylidene]amino]-oxidosulfanium
CID 174004875
2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
CID 174240814
tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 175736625
tert-butyl-[[2-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-ylidene]amino]-oxidosulfanium
CID 175775066
Tert-butyl 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 103724099

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate (CID 156711836) is tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate is Cc1nc2c(s1)CC1(CCN(C(=O)OC(C)(C)C)CC1)C2=O.
What is the InChIKey of tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
The InChIKey is JYVWJMVJEOZZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-10-17-12-11(22-10)9-16(13(12)19)5-7-18(8-6-16)14(20)21-15(2,3)4/h5-9H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate has a molecular weight of 322.43 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 156711836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).