4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C23H14N4O3S — CID 108766703

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H14N4O3S/c28-20(26-23-25-19(13-31-23)18-7-3-4-12-24-18)14-8-10-15(11-9-14)27-21(29)16-5-1-2-6-17(16)22(27)30/h1-13H,(H,25,26,28)
InChIKeyRAYMWQMZZUIJDX-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.26
Rot. Bonds4

About 4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 108766703) has the molecular formula C23H14N4O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID108766703
Molecular FormulaC23H14N4O3S
Molecular Weight426.46 g/mol
Exact Mass426.08
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H14N4O3S/c28-20(26-23-25-19(13-31-23)18-7-3-4-12-24-18)14-8-10-15(11-9-14)27-21(29)16-5-1-2-6-17(16)22(27)30/h1-13H,(H,25,26,28)
InChIKeyRAYMWQMZZUIJDX-UHFFFAOYSA-N
XLogP4.26
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 19197399
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 940171
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
4-(1,3-dioxoisoindol-2-yl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19197395
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1248679
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-carboxamide
CID 108797962
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158043
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 86929338
2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 8891885

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 108766703) is 4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is RAYMWQMZZUIJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4O3S/c28-20(26-23-25-19(13-31-23)18-7-3-4-12-24-18)14-8-10-15(11-9-14)27-21(29)16-5-1-2-6-17(16)22(27)30/h1-13H,(H,25,26,28).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 426.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 108766703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).