2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C18H13N3O4S — CID 1188887

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1
InChIInChI=1S/C18H13N3O4S/c1-25-10-6-7-13-14(8-10)26-18(19-13)20-15(22)9-21-16(23)11-4-2-3-5-12(11)17(21)24/h2-8H,9H2,1H3,(H,19,20,22)
InChIKeyUSUKAGKPTXPQBR-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.54
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 1188887) has the molecular formula C18H13N3O4S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID1188887
Molecular FormulaC18H13N3O4S
Molecular Weight367.39 g/mol
Exact Mass367.06
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1
InChIInChI=1S/C18H13N3O4S/c1-25-10-6-7-13-14(8-10)26-18(19-13)20-15(22)9-21-16(23)11-4-2-3-5-12(11)17(21)24/h2-8H,9H2,1H3,(H,19,20,22)
InChIKeyUSUKAGKPTXPQBR-UHFFFAOYSA-N
XLogP2.54
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 1188887) is 2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is USUKAGKPTXPQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4S/c1-25-10-6-7-13-14(8-10)26-18(19-13)20-15(22)9-21-16(23)11-4-2-3-5-12(11)17(21)24/h2-8H,9H2,1H3,(H,19,20,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 367.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 1188887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).