4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide

C18H11N3O3S — CID 940171

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H11N3O3S/c22-15(20-18-19-9-10-25-18)11-5-7-12(8-6-11)21-16(23)13-3-1-2-4-14(13)17(21)24/h1-10H,(H,19,20,22)
InChIKeyXFZJBYBYUPLLQC-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.20
Rot. Bonds3

About 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide

4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 940171) has the molecular formula C18H11N3O3S and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID940171
Molecular FormulaC18H11N3O3S
Molecular Weight349.37 g/mol
Exact Mass349.05
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H11N3O3S/c22-15(20-18-19-9-10-25-18)11-5-7-12(8-6-11)21-16(23)13-3-1-2-4-14(13)17(21)24/h1-10H,(H,19,20,22)
InChIKeyXFZJBYBYUPLLQC-UHFFFAOYSA-N
XLogP3.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.20
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

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide
CID 66491223
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108766703
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(1,3-thiazol-2-yl)benzamide
CID 98122992
N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1248679
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 19197399
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 719768
2-cyclohexyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 1369561
4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 942201
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
2-[(2-chlorophenyl)methyl]-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 39042783

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide (CID 940171) is 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is XFZJBYBYUPLLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O3S/c22-15(20-18-19-9-10-25-18)11-5-7-12(8-6-11)21-16(23)13-3-1-2-4-14(13)17(21)24/h1-10H,(H,19,20,22).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide?
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 349.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 940171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).