N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C25H17N3O3S — CID 56507438

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3cccc(N4C(=O)c5ccccc5C4=O)c3)cs2)cc1
InChIInChI=1S/C25H17N3O3S/c1-15-9-11-16(12-10-15)23-27-21(14-32-23)22(29)26-17-5-4-6-18(13-17)28-24(30)19-7-2-3-8-20(19)25(28)31/h2-14H,1H3,(H,26,29)
InChIKeyPXIDDEPNQNSCFH-UHFFFAOYSA-N
MW439.50 g/mol
LogP5.17
Rot. Bonds4

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 56507438) has the molecular formula C25H17N3O3S and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID56507438
Molecular FormulaC25H17N3O3S
Molecular Weight439.50 g/mol
Exact Mass439.10
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3cccc(N4C(=O)c5ccccc5C4=O)c3)cs2)cc1
InChIInChI=1S/C25H17N3O3S/c1-15-9-11-16(12-10-15)23-27-21(14-32-23)22(29)26-17-5-4-6-18(13-17)28-24(30)19-7-2-3-8-20(19)25(28)31/h2-14H,1H3,(H,26,29)
InChIKeyPXIDDEPNQNSCFH-UHFFFAOYSA-N
XLogP5.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 86983157
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide
CID 22830902
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 56508067
N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 55415574
N-(1H-indol-5-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 143403398
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 56509455
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 56508331
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 56507040
2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide
CID 58528154
2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 169152175
N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 86867681

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 56507438) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3cccc(N4C(=O)c5ccccc5C4=O)c3)cs2)cc1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PXIDDEPNQNSCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O3S/c1-15-9-11-16(12-10-15)23-27-21(14-32-23)22(29)26-17-5-4-6-18(13-17)28-24(30)19-7-2-3-8-20(19)25(28)31/h2-14H,1H3,(H,26,29).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56507438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).