3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C19H15N3O4S — CID 4143751

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1
InChIInChI=1S/C19H15N3O4S/c1-26-13-5-6-14-15(10-13)27-19(20-14)21-18(25)11-3-2-4-12(9-11)22-16(23)7-8-17(22)24/h2-6,9-10H,7-8H2,1H3,(H,20,21,25)
InChIKeyLIWFQCTVRWQUPM-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.21
Rot. Bonds4

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 4143751) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID4143751
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1
InChIInChI=1S/C19H15N3O4S/c1-26-13-5-6-14-15(10-13)27-19(20-14)21-18(25)11-3-2-4-12(9-11)22-16(23)7-8-17(22)24/h2-6,9-10H,7-8H2,1H3,(H,20,21,25)
InChIKeyLIWFQCTVRWQUPM-UHFFFAOYSA-N
XLogP3.21
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.21
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 3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 4143751) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is LIWFQCTVRWQUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-26-13-5-6-14-15(10-13)27-19(20-14)21-18(25)11-3-2-4-12(9-11)22-16(23)7-8-17(22)24/h2-6,9-10H,7-8H2,1H3,(H,20,21,25).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 381.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4143751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).