2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide

C24H15N5O5S — CID 108748671

IUPAC2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C24H15N5O5S/c30-20(12-28-23(31)17-5-2-6-19(29(33)34)21(17)24(28)32)26-16-4-1-3-15(11-16)18-13-35-22(27-18)14-7-9-25-10-8-14/h1-11,13H,12H2,(H,26,30)
InChIKeyGOGJSUMHYFHNHY-UHFFFAOYSA-N
MW485.48 g/mol
LogP4.01
Rot. Bonds6

About 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide

2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 108748671) has the molecular formula C24H15N5O5S and a molecular weight of 485.48 g/mol. Its IUPAC name is 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID108748671
Molecular FormulaC24H15N5O5S
Molecular Weight485.48 g/mol
Exact Mass485.08
IUPAC Name2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C24H15N5O5S/c30-20(12-28-23(31)17-5-2-6-19(29(33)34)21(17)24(28)32)26-16-4-1-3-15(11-16)18-13-35-22(27-18)14-7-9-25-10-8-14/h1-11,13H,12H2,(H,26,30)
InChIKeyGOGJSUMHYFHNHY-UHFFFAOYSA-N
XLogP4.01
TPSA135.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxamide
CID 10237742
2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide
CID 10894899
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 155517715
2-[2-(2-Pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
CID 1473463
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 155543155
US9567339, Example A.7.8
CID 86762853
US9567339, Example A.3.4
CID 86763067
US9567339, Example A.2.1
CID 117774344
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17511862
[4-(5-nitro-1H-indole-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 127041413
N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide
CID 46896369
N-(4-fluorophenyl)-6-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butylsulfanyl]pyridine-3-carboxamide
CID 46896370

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 108748671) is 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(-c2csc(-c3ccncc3)n2)c1.
What is the InChIKey of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is GOGJSUMHYFHNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N5O5S/c30-20(12-28-23(31)17-5-2-6-19(29(33)34)21(17)24(28)32)26-16-4-1-3-15(11-16)18-13-35-22(27-18)14-7-9-25-10-8-14/h1-11,13H,12H2,(H,26,30).
What are the key properties of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 485.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 108748671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).