2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid

C11H11ClN2O3S — CID 174240814

IUPAC2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)Cc1nc(Cl)sc1C2=O
InChIInChI=1S/C11H11ClN2O3S/c12-9-13-6-5-11(8(15)7(6)18-9)1-3-14(4-2-11)10(16)17/h1-5H2,(H,16,17)
InChIKeyZOLNLHQQLJKBAH-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.30
Rot. Bonds

About 2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid

2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid (PubChem CID 174240814) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
PubChem CID174240814
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)Cc1nc(Cl)sc1C2=O
InChIInChI=1S/C11H11ClN2O3S/c12-9-13-6-5-11(8(15)7(6)18-9)1-3-14(4-2-11)10(16)17/h1-5H2,(H,16,17)
InChIKeyZOLNLHQQLJKBAH-UHFFFAOYSA-N
XLogP2.30
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 156711836
CID 171722754
CID 171722754
CID 171722792
CID 171722792
tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 175736625
2-Chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
CID 175793629

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid (CID 174240814) is 2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid is O=C(O)N1CCC2(CC1)Cc1nc(Cl)sc1C2=O.
What is the InChIKey of 2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid?
The InChIKey is ZOLNLHQQLJKBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c12-9-13-6-5-11(8(15)7(6)18-9)1-3-14(4-2-11)10(16)17/h1-5H2,(H,16,17).
What are the key properties of 2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid?
2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid has a molecular weight of 286.74 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 174240814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).