6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione

C13H12Cl2N2O2S — CID 23335448

IUPAC6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione
SMILESCCC12SCCN1C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O
InChIInChI=1S/C13H12Cl2N2O2S/c1-2-13-11(18)17(12(19)16(13)3-4-20-13)10-6-8(14)5-9(15)7-10/h5-7H,2-4H2,1H3
InChIKeyXQEUQCOZYIXHMH-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.62
Rot. Bonds2

About 6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione

6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione (PubChem CID 23335448) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione
PubChem CID23335448
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione
SMILESCCC12SCCN1C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O
InChIInChI=1S/C13H12Cl2N2O2S/c1-2-13-11(18)17(12(19)16(13)3-4-20-13)10-6-8(14)5-9(15)7-10/h5-7H,2-4H2,1H3
InChIKeyXQEUQCOZYIXHMH-UHFFFAOYSA-N
XLogP3.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione?
The IUPAC name of 6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione (CID 23335448) is 6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione?
The canonical SMILES for 6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione is CCC12SCCN1C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O.
What is the InChIKey of 6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione?
The InChIKey is XQEUQCOZYIXHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-2-13-11(18)17(12(19)16(13)3-4-20-13)10-6-8(14)5-9(15)7-10/h5-7H,2-4H2,1H3.
What are the key properties of 6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione?
6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione has a molecular weight of 331.22 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-7a-ethyl-2,3-dihydroimidazo[5,1-b][1,3]thiazole-5,7-dione is sourced from PubChem (CID 23335448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).