2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide

C17H17N3O4S — CID 84572829

IUPAC2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)(COCC(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H17N3O4S/c1-17(2,10-24-9-13(21)19-16-18-7-8-25-16)20-14(22)11-5-3-4-6-12(11)15(20)23/h3-8H,9-10H2,1-2H3,(H,18,19,21)
InChIKeyBDWVAHDILDWSES-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.17
Rot. Bonds6

About 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide

2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 84572829) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID84572829
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)(COCC(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H17N3O4S/c1-17(2,10-24-9-13(21)19-16-18-7-8-25-16)20-14(22)11-5-3-4-6-12(11)15(20)23/h3-8H,9-10H2,1-2H3,(H,18,19,21)
InChIKeyBDWVAHDILDWSES-UHFFFAOYSA-N
XLogP2.17
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide
CID 84572826
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 84572068
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 719768
7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
CID 3148603
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide
CID 66491223
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate
CID 3407042
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate
CID 5223064
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide
CID 84572767
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide (CID 84572829) is 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide is CC(C)(COCC(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is BDWVAHDILDWSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-17(2,10-24-9-13(21)19-16-18-7-8-25-16)20-14(22)11-5-3-4-6-12(11)15(20)23/h3-8H,9-10H2,1-2H3,(H,18,19,21).
What are the key properties of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide?
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 84572829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).