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

C18H13N3O3S — CID 127026909

IUPAC2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione
SMILESCOc1ccc(-c2csc(NN3C(=O)c4ccccc4C3=O)n2)cc1
InChIInChI=1S/C18H13N3O3S/c1-24-12-8-6-11(7-9-12)15-10-25-18(19-15)20-21-16(22)13-4-2-3-5-14(13)17(21)23/h2-10H,1H3,(H,19,20)
InChIKeyPJSILNKYQYLIAK-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.44
Rot. Bonds4

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

2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione (PubChem CID 127026909) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione
PubChem CID127026909
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione
SMILESCOc1ccc(-c2csc(NN3C(=O)c4ccccc4C3=O)n2)cc1
InChIInChI=1S/C18H13N3O3S/c1-24-12-8-6-11(7-9-12)15-10-25-18(19-15)20-21-16(22)13-4-2-3-5-14(13)17(21)23/h2-10H,1H3,(H,19,20)
InChIKeyPJSILNKYQYLIAK-UHFFFAOYSA-N
XLogP3.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione?
The IUPAC name of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione (CID 127026909) is 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione is COc1ccc(-c2csc(NN3C(=O)c4ccccc4C3=O)n2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione?
The InChIKey is PJSILNKYQYLIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c1-24-12-8-6-11(7-9-12)15-10-25-18(19-15)20-21-16(22)13-4-2-3-5-14(13)17(21)23/h2-10H,1H3,(H,19,20).
What are the key properties of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione?
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione has a molecular weight of 351.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]isoindole-1,3-dione is sourced from PubChem (CID 127026909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).