2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide

C20H17N3O4S — CID 3387324

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
SMILESCOCCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2ccccc21
InChIInChI=1S/C20H17N3O4S/c1-27-11-10-22-15-8-4-5-9-16(15)28-20(22)21-17(24)12-23-18(25)13-6-2-3-7-14(13)19(23)26/h2-9H,10-12H2,1H3/b21-20-
InChIKeyPDIXFCWYMDADCK-MRCUWXFGSA-N
MW395.44 g/mol
LogP2.07
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (PubChem CID 3387324) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
PubChem CID3387324
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
SMILESCOCCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2ccccc21
InChIInChI=1S/C20H17N3O4S/c1-27-11-10-22-15-8-4-5-9-16(15)28-20(22)21-17(24)12-23-18(25)13-6-2-3-7-14(13)19(23)26/h2-9H,10-12H2,1H3/b21-20-
InChIKeyPDIXFCWYMDADCK-MRCUWXFGSA-N
XLogP2.07
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 2999852
(Z)-4-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4,6-difluorobenzo[d]thiazol-2(3H)-ylidene)benzamide
CID 2151081
(Z)-2-(1,3-dioxoisoindolin-2-yl)-N-(3-ethyl-4-fluorobenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 2151096
N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-iodobenzamide
CID 4291041
N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide
CID 51067157
(Z)-2-(1,3-dioxoisoindolin-2-yl)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 3414765
(Z)-2-(1,3-dioxoisoindolin-2-yl)-N-(3-(2-methoxyethyl)-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)acetamide
CID 4324053
(E)-N-(3,6-dimethylbenzo[d]thiazol-2(3H)-ylidene)-2-(1,3-dioxoisoindolin-2-yl)acetamide
CID 4420899
(E)-2-(1,3-dioxoisoindolin-2-yl)-N-(3,4,6-trimethylbenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 4592901
(Z)-4-(tert-butyl)-N-(3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)benzamide
CID 5095445
(Z)-N-(3-allyl-5,7-dimethylbenzo[d]thiazol-2(3H)-ylidene)-2-(1,3-dioxoisoindolin-2-yl)acetamide
CID 7152741
(E)-2-(1,3-dioxoisoindolin-2-yl)-N-(6-isopropyl-3-methylbenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 7154055

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (CID 3387324) is 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is COCCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2ccccc21.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
The InChIKey is PDIXFCWYMDADCK-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-27-11-10-22-15-8-4-5-9-16(15)28-20(22)21-17(24)12-23-18(25)13-6-2-3-7-14(13)19(23)26/h2-9H,10-12H2,1H3/b21-20-.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide has a molecular weight of 395.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is sourced from PubChem (CID 3387324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).