4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide

C24H24N4O4S — CID 108763424

About 4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide (PubChem CID 108763424) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide.

Molecular Properties

• Compound Name: 4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide
• PubChem CID: 108763424
• Molecular Formula: C24H24N4O4S
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.15
• IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide
• SMILES: O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc2ccc(CN3CCOCC3)cc2s1
• InChI: InChI=1S/C24H24N4O4S/c29-21(6-3-9-28-22(30)17-4-1-2-5-18(17)23(28)31)26-24-25-19-8-7-16(14-20(19)33-24)15-27-10-12-32-13-11-27/h1-2,4-5,7-8,14H,3,6,9-13,15H2,(H,25,26,29)
• InChIKey: CBNYXDAFGUQURC-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide?

The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide (CID 108763424) is 4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide.

What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide?

The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc2ccc(CN3CCOCC3)cc2s1.

What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide?

The InChIKey is CBNYXDAFGUQURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c29-21(6-3-9-28-22(30)17-4-1-2-5-18(17)23(28)31)26-24-25-19-8-7-16(14-20(19)33-24)15-27-10-12-32-13-11-27/h1-2,4-5,7-8,14H,3,6,9-13,15H2,(H,25,26,29).

What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide?

4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide has a molecular weight of 464.55 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide is sourced from PubChem (CID 108763424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).