(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide

C30H25N3O3S — CID 2487274

About (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide

(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 2487274) has the molecular formula C30H25N3O3S and a molecular weight of 507.62 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 2487274
• Molecular Formula: C30H25N3O3S
• Molecular Weight: 507.62 g/mol
• Exact Mass: 507.16
• IUPAC Name: (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
• SMILES: O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C30H25N3O3S/c34-27(32-30-31-25(18-37-30)22-15-14-20-10-4-5-11-21(20)17-22)26(16-19-8-2-1-3-9-19)33-28(35)23-12-6-7-13-24(23)29(33)36/h1-3,6-9,12-15,17-18,26H,4-5,10-11,16H2,(H,31,32,34)/t26-/m1/s1
• InChIKey: FPTKCKGVCNCNQS-AREMUKBSSA-N
• XLogP: 5.53
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.62
LogP ≤ 5	5.53
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 (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide (CID 2487274) is (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide is O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.

What is the InChIKey of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is FPTKCKGVCNCNQS-AREMUKBSSA-N. The full InChI is InChI=1S/C30H25N3O3S/c34-27(32-30-31-25(18-37-30)22-15-14-20-10-4-5-11-21(20)17-22)26(16-19-8-2-1-3-9-19)33-28(35)23-12-6-7-13-24(23)29(33)36/h1-3,6-9,12-15,17-18,26H,4-5,10-11,16H2,(H,31,32,34)/t26-/m1/s1.

What are the key properties of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide?

(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 507.62 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 2487274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).