2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide

C20H17N3O3S — CID 7202868

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(C)c1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1
InChIInChI=1S/C20H17N3O3S/c1-11(2)12-7-8-15-16(9-12)27-20(21-15)22-17(24)10-23-18(25)13-5-3-4-6-14(13)19(23)26/h3-9,11H,10H2,1-2H3,(H,21,22,24)
InChIKeyBJMWOJBHSOKGTP-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.65
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7202868) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
PubChem CID7202868
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(C)c1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1
InChIInChI=1S/C20H17N3O3S/c1-11(2)12-7-8-15-16(9-12)27-20(21-15)22-17(24)10-23-18(25)13-5-3-4-6-14(13)19(23)26/h3-9,11H,10H2,1-2H3,(H,21,22,24)
InChIKeyBJMWOJBHSOKGTP-UHFFFAOYSA-N
XLogP3.65
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.65
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-(1,3-dioxoisoindol-2-yl)-N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]acetamide
CID 5201633
3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 43989546
N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetamide
CID 4092896
N-(6-butoxy-1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19219051
2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 8700884
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 7719954
N-(4-bromo-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 41235361
N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838062
4-(1,3-dioxoisoindol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 2677097
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 8750662
2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
CID 7202864
4-tert-butyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235419

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide (CID 7202868) is 2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide is CC(C)c1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is BJMWOJBHSOKGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-11(2)12-7-8-15-16(9-12)27-20(21-15)22-17(24)10-23-18(25)13-5-3-4-6-14(13)19(23)26/h3-9,11H,10H2,1-2H3,(H,21,22,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7202868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).