2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide

C19H13N3O3S — CID 66491223

IUPAC2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1nccs1
InChIInChI=1S/C19H13N3O3S/c23-16(21-19-20-9-10-26-19)11-12-5-7-13(8-6-12)22-17(24)14-3-1-2-4-15(14)18(22)25/h1-10H,11H2,(H,20,21,23)
InChIKeyNXYWUFXUHJUXAD-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.12
Rot. Bonds4

About 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 66491223) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID66491223
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC Name2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1nccs1
InChIInChI=1S/C19H13N3O3S/c23-16(21-19-20-9-10-26-19)11-12-5-7-13(8-6-12)22-17(24)14-3-1-2-4-15(14)18(22)25/h1-10H,11H2,(H,20,21,23)
InChIKeyNXYWUFXUHJUXAD-UHFFFAOYSA-N
XLogP3.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 940171
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 66491232
2-(4-pyridin-2-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 172559309
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868
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-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
2-(2-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 102584550
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(3-fluorophenyl)acetamide
CID 110343512
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 84572829
2-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)acetamide
CID 33234261
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide (CID 66491223) is 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1nccs1.
What is the InChIKey of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NXYWUFXUHJUXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-16(21-19-20-9-10-26-19)11-12-5-7-13(8-6-12)22-17(24)14-3-1-2-4-15(14)18(22)25/h1-10H,11H2,(H,20,21,23).
What are the key properties of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 363.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 66491223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).