N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide

C13H13N3O3S — CID 110745319

IUPACN-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESCN1C(=O)c2cccc(NC(=O)C3CSCN3)c2C1=O
InChIInChI=1S/C13H13N3O3S/c1-16-12(18)7-3-2-4-8(10(7)13(16)19)15-11(17)9-5-20-6-14-9/h2-4,9,14H,5-6H2,1H3,(H,15,17)
InChIKeyXTOHKRHDHBPGAG-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.51
Rot. Bonds2

About N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide

N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 110745319) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID110745319
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESCN1C(=O)c2cccc(NC(=O)C3CSCN3)c2C1=O
InChIInChI=1S/C13H13N3O3S/c1-16-12(18)7-3-2-4-8(10(7)13(16)19)15-11(17)9-5-20-6-14-9/h2-4,9,14H,5-6H2,1H3,(H,15,17)
InChIKeyXTOHKRHDHBPGAG-UHFFFAOYSA-N
XLogP0.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide
CID 47074120
N-(2-phenylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24694917
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 24711846
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490
N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697653
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-(2-propylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43703955

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide (CID 110745319) is N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide is CN1C(=O)c2cccc(NC(=O)C3CSCN3)c2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XTOHKRHDHBPGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-16-12(18)7-3-2-4-8(10(7)13(16)19)15-11(17)9-5-20-6-14-9/h2-4,9,14H,5-6H2,1H3,(H,15,17).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide?
N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110745319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).