6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C19H22N2O4S — CID 119174920

IUPAC6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CSCN1C(=O)c1ccccc1)CC2
InChIInChI=1S/C19H22N2O4S/c22-16(13-4-2-1-3-5-13)21-12-26-11-15(21)17(23)20-8-6-19(7-9-20)10-14(19)18(24)25/h1-5,14-15H,6-12H2,(H,24,25)
InChIKeyKTEIGJGLEDXBLT-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.91
Rot. Bonds3

About 6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119174920) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119174920
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CSCN1C(=O)c1ccccc1)CC2
InChIInChI=1S/C19H22N2O4S/c22-16(13-4-2-1-3-5-13)21-12-26-11-15(21)17(23)20-8-6-19(7-9-20)10-14(19)18(24)25/h1-5,14-15H,6-12H2,(H,24,25)
InChIKeyKTEIGJGLEDXBLT-UHFFFAOYSA-N
XLogP1.91
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251290
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183486
[4-(benzenesulfonyl)piperazin-1-yl]-[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]methanone
CID 55941492
3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 120549774
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-benzoyl-1,3-thiazolidin-4-yl)methanone
CID 120749146
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379
[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 97023493
[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55942253
6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175381
N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55941004
1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone
CID 3960804

Frequently Asked Questions

What is the IUPAC name of 6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119174920) is 6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)C1CSCN1C(=O)c1ccccc1)CC2.
What is the InChIKey of 6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is KTEIGJGLEDXBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-16(13-4-2-1-3-5-13)21-12-26-11-15(21)17(23)20-8-6-19(7-9-20)10-14(19)18(24)25/h1-5,14-15H,6-12H2,(H,24,25).
What are the key properties of 6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 374.46 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119174920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).