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

C18H12N2O2S — CID 19133039

IUPAC2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
SMILESCc1ccc(-c2csc(N3C(=O)c4ccccc4C3=O)n2)cc1
InChIInChI=1S/C18H12N2O2S/c1-11-6-8-12(9-7-11)15-10-23-18(19-15)20-16(21)13-4-2-3-5-14(13)17(20)22/h2-10H,1H3
InChIKeyDSUGTXODCTUGTF-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.92
Rot. Bonds2

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

2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione (PubChem CID 19133039) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
PubChem CID19133039
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
SMILESCc1ccc(-c2csc(N3C(=O)c4ccccc4C3=O)n2)cc1
InChIInChI=1S/C18H12N2O2S/c1-11-6-8-12(9-7-11)15-10-23-18(19-15)20-16(21)13-4-2-3-5-14(13)17(20)22/h2-10H,1H3
InChIKeyDSUGTXODCTUGTF-UHFFFAOYSA-N
XLogP3.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione (CID 19133039) is 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione is Cc1ccc(-c2csc(N3C(=O)c4ccccc4C3=O)n2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione?
The InChIKey is DSUGTXODCTUGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c1-11-6-8-12(9-7-11)15-10-23-18(19-15)20-16(21)13-4-2-3-5-14(13)17(20)22/h2-10H,1H3.
What are the key properties of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione?
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione has a molecular weight of 320.37 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 19133039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).