4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide

C24H17N3O3S — CID 3575426

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C24H17N3O3S/c28-21-11-12-22(29)27(21)19-9-7-16(8-10-19)23(30)26-24-25-20(14-31-24)18-6-5-15-3-1-2-4-17(15)13-18/h1-10,13-14H,11-12H2,(H,25,26,30)
InChIKeyZXXIMOHQGSAHOD-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.87
Rot. Bonds4

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 3575426) has the molecular formula C24H17N3O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID3575426
Molecular FormulaC24H17N3O3S
Molecular Weight427.49 g/mol
Exact Mass427.10
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C24H17N3O3S/c28-21-11-12-22(29)27(21)19-9-7-16(8-10-19)23(30)26-24-25-20(14-31-24)18-6-5-15-3-1-2-4-17(15)13-18/h1-10,13-14H,11-12H2,(H,25,26,30)
InChIKeyZXXIMOHQGSAHOD-UHFFFAOYSA-N
XLogP4.87
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.87
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

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CID 959043
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CID 2463285
N-(4-mesitylthiazol-2-yl)benzamide
CID 7918451
N-[4-(9H-Fluoren-2-yl)-thiazol-2-yl]-benzamide
CID 1101889
[5-[2-(Methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone
CID 1450301
N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
CID 2325470
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CID 3610835
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4183077
4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 4428027
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4598672
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7172917
3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-4-thiazolyl]phenyl]benzamide
CID 16745791

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide (CID 3575426) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZXXIMOHQGSAHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3S/c28-21-11-12-22(29)27(21)19-9-7-16(8-10-19)23(30)26-24-25-20(14-31-24)18-6-5-15-3-1-2-4-17(15)13-18/h1-10,13-14H,11-12H2,(H,25,26,30).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 427.49 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3575426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).