3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide

C24H23N3O2S — CID 39001437

About 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide

3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 39001437) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 39001437
• Molecular Formula: C24H23N3O2S
• Molecular Weight: 417.53 g/mol
• Exact Mass: 417.15
• IUPAC Name: 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide
• SMILES: C=C1c2ccccc2C(=O)N1CCC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1
• InChI: InChI=1S/C24H23N3O2S/c1-15(2)22-21(17-9-5-4-6-10-17)26-24(30-22)25-20(28)13-14-27-16(3)18-11-7-8-12-19(18)23(27)29/h4-12,15H,3,13-14H2,1-2H3,(H,25,26,28)
• InChIKey: SYVXNXSJDQIAJY-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.53
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide?

The IUPAC name of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide (CID 39001437) is 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1CCC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1.

What is the InChIKey of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide?

The InChIKey is SYVXNXSJDQIAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-15(2)22-21(17-9-5-4-6-10-17)26-24(30-22)25-20(28)13-14-27-16(3)18-11-7-8-12-19(18)23(27)29/h4-12,15H,3,13-14H2,1-2H3,(H,25,26,28).

What are the key properties of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide?

3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 417.53 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 39001437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).