2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide

C19H14FN3O3S — CID 2151096

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cccc(F)c21
InChIInChI=1S/C19H14FN3O3S/c1-2-22-16-13(20)8-5-9-14(16)27-19(22)21-15(24)10-23-17(25)11-6-3-4-7-12(11)18(23)26/h3-9H,2,10H2,1H3/b21-19-
InChIKeyRJHXMXGEONQVNX-VZCXRCSSSA-N
MW383.40 g/mol
LogP2.59
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 2151096) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID2151096
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cccc(F)c21
InChIInChI=1S/C19H14FN3O3S/c1-2-22-16-13(20)8-5-9-14(16)27-19(22)21-15(24)10-23-17(25)11-6-3-4-7-12(11)18(23)26/h3-9H,2,10H2,1H3/b21-19-
InChIKeyRJHXMXGEONQVNX-VZCXRCSSSA-N
XLogP2.59
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-fluoro-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)benzamide
CID 741411
(E)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)-2-fluorobenzamide
CID 2104918
(Z)-4-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4,6-difluorobenzo[d]thiazol-2(3H)-ylidene)benzamide
CID 2151081
(E)-3-fluoro-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)benzamide
CID 2318922
N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide
CID 51067157
4-fluoro-N-(8-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
CID 4566839
2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 3387324
(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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide (CID 2151096) is 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide is CCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cccc(F)c21.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is RJHXMXGEONQVNX-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c1-2-22-16-13(20)8-5-9-14(16)27-19(22)21-15(24)10-23-17(25)11-6-3-4-7-12(11)18(23)26/h3-9H,2,10H2,1H3/b21-19-.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 383.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 2151096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).