2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione

C17H11N3O2S — CID 1497763

IUPAC2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H11N3O2S/c21-15-12-8-4-5-9-13(12)16(22)20(15)19-17-18-14(10-23-17)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKeyGLZXQJZMCSMEEI-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.43
Rot. Bonds3

About 2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione

2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione (PubChem CID 1497763) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione
PubChem CID1497763
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H11N3O2S/c21-15-12-8-4-5-9-13(12)16(22)20(15)19-17-18-14(10-23-17)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKeyGLZXQJZMCSMEEI-UHFFFAOYSA-N
XLogP3.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.43
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

1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione
CID 59761353
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 3520878
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1193133
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
9-oxo-N-(4-phenyl-1,3-thiazol-2-yl)fluorene-2-carboxamide
CID 16613201
2-[3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione;hydrobromide
CID 126478088
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 108769722
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 19197309

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione?
The IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione (CID 1497763) is 2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione?
The InChIKey is GLZXQJZMCSMEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-15-12-8-4-5-9-13(12)16(22)20(15)19-17-18-14(10-23-17)11-6-2-1-3-7-11/h1-10H,(H,18,19).
What are the key properties of 2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione?
2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione has a molecular weight of 321.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione is sourced from PubChem (CID 1497763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).