2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide

C17H19N3O4S — CID 2151002

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2c(C)ccc(OC)c21
InChIInChI=1S/C17H19N3O4S/c1-4-19-15-11(24-3)6-5-10(2)16(15)25-17(19)18-12(21)9-20-13(22)7-8-14(20)23/h5-6H,4,7-9H2,1-3H3/b18-17-
InChIKeyVGEZCUHRGBIRDI-ZCXUNETKSA-N
MW361.42 g/mol
LogP1.62
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 2151002) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID2151002
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2c(C)ccc(OC)c21
InChIInChI=1S/C17H19N3O4S/c1-4-19-15-11(24-3)6-5-10(2)16(15)25-17(19)18-12(21)9-20-13(22)7-8-14(20)23/h5-6H,4,7-9H2,1-3H3/b18-17-
InChIKeyVGEZCUHRGBIRDI-ZCXUNETKSA-N
XLogP1.62
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 2150938
N-(7-chloro-4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7590268
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913075
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 2150912
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40885254
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7541284
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
CID 41362730
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16849030
2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885192
3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885456
N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 2151019
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41136933

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 2151002) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide is CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2c(C)ccc(OC)c21.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is VGEZCUHRGBIRDI-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-4-19-15-11(24-3)6-5-10(2)16(15)25-17(19)18-12(21)9-20-13(22)7-8-14(20)23/h5-6H,4,7-9H2,1-3H3/b18-17-.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 361.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 2151002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).