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

C14H19ClN2OS — CID 175914125

IUPAC2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one
SMILES[2H]N1CCC2(Cc3sc(Cl)nc3C2=O)CC1C(C)(C)C
InChIInChI=1S/C14H19ClN2OS/c1-13(2,3)9-7-14(4-5-16-9)6-8-10(11(14)18)17-12(15)19-8/h9,16H,4-7H2,1-3H3/i/hD
InChIKeyKMHNXOAPDZNXFL-DYCDLGHISA-N
MW299.85 g/mol
LogP3.32
Rot. Bonds

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

2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one (PubChem CID 175914125) has the molecular formula C14H19ClN2OS and a molecular weight of 299.85 g/mol. Its IUPAC name is 2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one.

Molecular Properties

Compound Name2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one
PubChem CID175914125
Molecular FormulaC14H19ClN2OS
Molecular Weight299.85 g/mol
Exact Mass299.10
IUPAC Name2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one
SMILES[2H]N1CCC2(Cc3sc(Cl)nc3C2=O)CC1C(C)(C)C
InChIInChI=1S/C14H19ClN2OS/c1-13(2,3)9-7-14(4-5-16-9)6-8-10(11(14)18)17-12(15)19-8/h9,16H,4-7H2,1-3H3/i/hD
InChIKeyKMHNXOAPDZNXFL-DYCDLGHISA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

tert-Butyl 2-chloro-4-oxo-4,6-dihydrospiro[cyclopenta[d]thiazole-5,4'-piperidine]-1'-carboxylate
CID 142434134
2-Tert-butylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one;hydrochloride
CID 170744678
2-Tert-butylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one
CID 170744679
2-(1-Methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one
CID 170744685
2-[1,1,1,3,3,3-Hexadeuterio-2-(trideuteriomethyl)propan-2-yl]spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one
CID 170744729
CID 171722792
CID 171722792
1-(2,5-Dimethyl-1,3-thiazol-4-yl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425844
1-(2,5-Dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone
CID 116685307

Frequently Asked Questions

What is the IUPAC name of 2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one?
The IUPAC name of 2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one (CID 175914125) is 2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one.
What is the SMILES notation for 2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one?
The canonical SMILES for 2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one is [2H]N1CCC2(Cc3sc(Cl)nc3C2=O)CC1C(C)(C)C.
What is the InChIKey of 2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one?
The InChIKey is KMHNXOAPDZNXFL-DYCDLGHISA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-13(2,3)9-7-14(4-5-16-9)6-8-10(11(14)18)17-12(15)19-8/h9,16H,4-7H2,1-3H3/i/hD.
What are the key properties of 2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one?
2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one has a molecular weight of 299.85 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-tert-butyl-2-chloro-1'-deuteriospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-one is sourced from PubChem (CID 175914125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).