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

C16H22N2O3S — CID 155164220

IUPACtert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
SMILESCc1nc2c(s1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C16H22N2O3S/c1-10-17-11-9-16(13(19)12(11)22-10)5-7-18(8-6-16)14(20)21-15(2,3)4/h5-9H2,1-4H3
InChIKeyCFARQRPJCPNVFN-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.21
Rot. Bonds

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

tert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate (PubChem CID 155164220) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is tert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
PubChem CID155164220
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Nametert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
SMILESCc1nc2c(s1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C16H22N2O3S/c1-10-17-11-9-16(13(19)12(11)22-10)5-7-18(8-6-16)14(20)21-15(2,3)4/h5-9H2,1-4H3
InChIKeyCFARQRPJCPNVFN-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

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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 (6Z)-6-[(R)-tert-butylsulfinyl]imino-2-methylspiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 155623250
tert-butyl (6Z)-6-[(S)-tert-butylsulfinyl]imino-2-methylspiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 155623279
tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 156711836
tert-butyl 2-methyl-4-(oxomethylidene)spiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 163272424
tert-butyl (4Z)-4-tert-butylsulfinylimino-2-methylspiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 163362767
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate (CID 155164220) is tert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate is Cc1nc2c(s1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
The InChIKey is CFARQRPJCPNVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-10-17-11-9-16(13(19)12(11)22-10)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-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate?
tert-butyl 2-methyl-6-oxospiro[4H-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-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 155164220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).