N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide

C25H16ClN3O3S — CID 19197406

About N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 19197406) has the molecular formula C25H16ClN3O3S and a molecular weight of 473.94 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
• PubChem CID: 19197406
• Molecular Formula: C25H16ClN3O3S
• Molecular Weight: 473.94 g/mol
• Exact Mass: 473.06
• IUPAC Name: N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
• SMILES: Cc1sc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)nc1-c1ccc(Cl)cc1
• InChI: InChI=1S/C25H16ClN3O3S/c1-14-21(15-9-11-17(26)12-10-15)27-25(33-14)28-22(30)16-5-4-6-18(13-16)29-23(31)19-7-2-3-8-20(19)24(29)32/h2-13H,1H3,(H,27,28,30)
• InChIKey: YTBRIEFUGIXKMR-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.94
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide?

The IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide (CID 19197406) is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide.

What is the SMILES notation for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide?

The canonical SMILES for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide is Cc1sc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)nc1-c1ccc(Cl)cc1.

What is the InChIKey of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide?

The InChIKey is YTBRIEFUGIXKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3O3S/c1-14-21(15-9-11-17(26)12-10-15)27-25(33-14)28-22(30)16-5-4-6-18(13-16)29-23(31)19-7-2-3-8-20(19)24(29)32/h2-13H,1H3,(H,27,28,30).

What are the key properties of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide?

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 473.94 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 19197406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).