1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione

C13H10Cl2N2O2S2 — CID 4518557

IUPAC1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione
SMILESO=C1CC(SC2=NCCS2)C(=O)N1c1cccc(Cl)c1Cl
InChIInChI=1S/C13H10Cl2N2O2S2/c14-7-2-1-3-8(11(7)15)17-10(18)6-9(12(17)19)21-13-16-4-5-20-13/h1-3,9H,4-6H2
InChIKeyDGHNLQXMPDTSKS-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.46
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione

1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione (PubChem CID 4518557) has the molecular formula C13H10Cl2N2O2S2 and a molecular weight of 361.28 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione
PubChem CID4518557
Molecular FormulaC13H10Cl2N2O2S2
Molecular Weight361.28 g/mol
Exact Mass359.96
IUPAC Name1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione
SMILESO=C1CC(SC2=NCCS2)C(=O)N1c1cccc(Cl)c1Cl
InChIInChI=1S/C13H10Cl2N2O2S2/c14-7-2-1-3-8(11(7)15)17-10(18)6-9(12(17)19)21-13-16-4-5-20-13/h1-3,9H,4-6H2
InChIKeyDGHNLQXMPDTSKS-UHFFFAOYSA-N
XLogP3.46
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione (CID 4518557) is 1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione is O=C1CC(SC2=NCCS2)C(=O)N1c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione?
The InChIKey is DGHNLQXMPDTSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2S2/c14-7-2-1-3-8(11(7)15)17-10(18)6-9(12(17)19)21-13-16-4-5-20-13/h1-3,9H,4-6H2.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione?
1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione has a molecular weight of 361.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 4518557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).