6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide

C17H17N3O3S — CID 655385

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
InChIInChI=1S/C17H17N3O3S/c21-14(19-17-18-9-11-24-17)8-2-1-5-10-20-15(22)12-6-3-4-7-13(12)16(20)23/h3-4,6-7,9,11H,1-2,5,8,10H2,(H,18,19,21)
InChIKeyUPMLLNBZEKCDEX-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.94
Rot. Bonds7

About 6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide (PubChem CID 655385) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide
PubChem CID655385
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
InChIInChI=1S/C17H17N3O3S/c21-14(19-17-18-9-11-24-17)8-2-1-5-10-20-15(22)12-6-3-4-7-13(12)16(20)23/h3-4,6-7,9,11H,1-2,5,8,10H2,(H,18,19,21)
InChIKeyUPMLLNBZEKCDEX-UHFFFAOYSA-N
XLogP2.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide (CID 655385) is 6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1nccs1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide?
The InChIKey is UPMLLNBZEKCDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-14(19-17-18-9-11-24-17)8-2-1-5-10-20-15(22)12-6-3-4-7-13(12)16(20)23/h3-4,6-7,9,11H,1-2,5,8,10H2,(H,18,19,21).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide has a molecular weight of 343.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide is sourced from PubChem (CID 655385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).