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

C17H10N2O2S — CID 168519133

IUPAC2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(-c2cscn2)cc1
InChIInChI=1S/C17H10N2O2S/c20-16-13-3-1-2-4-14(13)17(21)19(16)12-7-5-11(6-8-12)15-9-22-10-18-15/h1-10H
InChIKeyXKZJMRATNIRLTG-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.61
Rot. Bonds2

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

2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione (PubChem CID 168519133) has the molecular formula C17H10N2O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
PubChem CID168519133
Molecular FormulaC17H10N2O2S
Molecular Weight306.35 g/mol
Exact Mass306.05
IUPAC Name2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(-c2cscn2)cc1
InChIInChI=1S/C17H10N2O2S/c20-16-13-3-1-2-4-14(13)17(21)19(16)12-7-5-11(6-8-12)15-9-22-10-18-15/h1-10H
InChIKeyXKZJMRATNIRLTG-UHFFFAOYSA-N
XLogP3.61
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 3520878
2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518477
4-(1,3-dioxoisoindol-2-yl)benzenesulfonyl bromide
CID 87384764
(4Z)-2-(4-methylphenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]isoquinoline-1,3-dione
CID 46534757
2-[4-(4-methylphenyl)sulfanylphenyl]isoindole-1,3-dione
CID 168518003
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione
CID 168518179
2-[4-(trihydroxy-λ4-sulfanyl)phenyl]isoindole-1,3-dione
CID 20755596
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]isoindole-1,3-dione
CID 168518349
2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione
CID 168518344

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione (CID 168519133) is 2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(-c2cscn2)cc1.
What is the InChIKey of 2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione?
The InChIKey is XKZJMRATNIRLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2S/c20-16-13-3-1-2-4-14(13)17(21)19(16)12-7-5-11(6-8-12)15-9-22-10-18-15/h1-10H.
What are the key properties of 2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione?
2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione has a molecular weight of 306.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168519133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).