N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

C17H12Cl2N2O2S — CID 73257686

IUPACN-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CSC2c3ccccc3C(=O)N12
InChIInChI=1S/C17H12Cl2N2O2S/c18-9-5-6-13(12(19)7-9)20-15(22)14-8-24-17-11-4-2-1-3-10(11)16(23)21(14)17/h1-7,14,17H,8H2,(H,20,22)
InChIKeyVWEIEKSMONCZIE-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.20
Rot. Bonds2

About N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (PubChem CID 73257686) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
PubChem CID73257686
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC NameN-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CSC2c3ccccc3C(=O)N12
InChIInChI=1S/C17H12Cl2N2O2S/c18-9-5-6-13(12(19)7-9)20-15(22)14-8-24-17-11-4-2-1-3-10(11)16(23)21(14)17/h1-7,14,17H,8H2,(H,20,22)
InChIKeyVWEIEKSMONCZIE-UHFFFAOYSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (CID 73257686) is N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1CSC2c3ccccc3C(=O)N12.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The InChIKey is VWEIEKSMONCZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c18-9-5-6-13(12(19)7-9)20-15(22)14-8-24-17-11-4-2-1-3-10(11)16(23)21(14)17/h1-7,14,17H,8H2,(H,20,22).
What are the key properties of N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide has a molecular weight of 379.27 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is sourced from PubChem (CID 73257686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).