3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C19H20Cl2N4O3S — CID 55335539

IUPAC3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCCS/C1=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N4O3S/c20-13-5-4-12(10-14(13)21)22-18-24(8-3-9-29-18)15(26)11-25-16(27)19(23-17(25)28)6-1-2-7-19/h4-5,10H,1-3,6-9,11H2,(H,23,28)/b22-18-
InChIKeyIQFZOJIUIMAHGG-PYCFMQQDSA-N
MW455.37 g/mol
LogP3.81
Rot. Bonds3

About 3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 55335539) has the molecular formula C19H20Cl2N4O3S and a molecular weight of 455.37 g/mol. Its IUPAC name is 3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID55335539
Molecular FormulaC19H20Cl2N4O3S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCCS/C1=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N4O3S/c20-13-5-4-12(10-14(13)21)22-18-24(8-3-9-29-18)15(26)11-25-16(27)19(23-17(25)28)6-1-2-7-19/h4-5,10H,1-3,6-9,11H2,(H,23,28)/b22-18-
InChIKeyIQFZOJIUIMAHGG-PYCFMQQDSA-N
XLogP3.81
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione 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

3-[3-[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-3-oxopropyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55433677
4-[2-(3,4-dichlorophenyl)imino-1,3-thiazinane-3-carbonyl]-2-ethylphthalazin-1-one
CID 55335519
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 42983006
1-[4-[[3-(3,4-dichlorobenzoyl)-1,3-thiazinan-2-ylidene]amino]phenyl]ethanone
CID 7943591
3-[2-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 24818388
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55885276
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850
N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2475113
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2452438
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
3-(2-oxo-2-piperazin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24694836

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 55335539) is 3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCCS/C1=N\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is IQFZOJIUIMAHGG-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3S/c20-13-5-4-12(10-14(13)21)22-18-24(8-3-9-29-18)15(26)11-25-16(27)19(23-17(25)28)6-1-2-7-19/h4-5,10H,1-3,6-9,11H2,(H,23,28)/b22-18-.
What are the key properties of 3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 455.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3,4-dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 55335539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).