3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

C19H15N3O3S — CID 1189074

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1ccc2nc(NC(=O)CCN3C(=O)c4ccccc4C3=O)sc2c1
InChIInChI=1S/C19H15N3O3S/c1-11-6-7-14-15(10-11)26-19(20-14)21-16(23)8-9-22-17(24)12-4-2-3-5-13(12)18(22)25/h2-7,10H,8-9H2,1H3,(H,20,21,23)
InChIKeyZYPWAJFUYSYFAI-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.23
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 1189074) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID1189074
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1ccc2nc(NC(=O)CCN3C(=O)c4ccccc4C3=O)sc2c1
InChIInChI=1S/C19H15N3O3S/c1-11-6-7-14-15(10-11)26-19(20-14)21-16(23)8-9-22-17(24)12-4-2-3-5-13(12)18(22)25/h2-7,10H,8-9H2,1H3,(H,20,21,23)
InChIKeyZYPWAJFUYSYFAI-UHFFFAOYSA-N
XLogP3.23
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (CID 1189074) is 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is Cc1ccc2nc(NC(=O)CCN3C(=O)c4ccccc4C3=O)sc2c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is ZYPWAJFUYSYFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-11-6-7-14-15(10-11)26-19(20-14)21-16(23)8-9-22-17(24)12-4-2-3-5-13(12)18(22)25/h2-7,10H,8-9H2,1H3,(H,20,21,23).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 365.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 1189074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).