N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide

C19H13N3O5S — CID 7189863

IUPACN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H13N3O5S/c23-16-5-6-17(24)22(16)11-3-1-10(2-4-11)18(25)21-19-20-12-7-13-14(27-9-26-13)8-15(12)28-19/h1-4,7-8H,5-6,9H2,(H,20,21,25)
InChIKeyLCDZYFXHKKUFAR-UHFFFAOYSA-N
MW395.40 g/mol
LogP2.93
Rot. Bonds3

About N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 7189863) has the molecular formula C19H13N3O5S and a molecular weight of 395.40 g/mol. Its IUPAC name is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID7189863
Molecular FormulaC19H13N3O5S
Molecular Weight395.40 g/mol
Exact Mass395.06
IUPAC NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H13N3O5S/c23-16-5-6-17(24)22(16)11-3-1-10(2-4-11)18(25)21-19-20-12-7-13-14(27-9-26-13)8-15(12)28-19/h1-4,7-8H,5-6,9H2,(H,20,21,25)
InChIKeyLCDZYFXHKKUFAR-UHFFFAOYSA-N
XLogP2.93
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 7189863) is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is LCDZYFXHKKUFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O5S/c23-16-5-6-17(24)22(16)11-3-1-10(2-4-11)18(25)21-19-20-12-7-13-14(27-9-26-13)8-15(12)28-19/h1-4,7-8H,5-6,9H2,(H,20,21,25).
What are the key properties of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 395.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 7189863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).