2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide

C24H21N3O2S — CID 16592785

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16592785) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 16592785
• Molecular Formula: C24H21N3O2S
• Molecular Weight: 415.52 g/mol
• Exact Mass: 415.14
• IUPAC Name: 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
• SMILES: C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
• InChI: InChI=1S/C24H21N3O2S/c1-15-19-8-4-5-9-20(19)23(29)27(15)13-22(28)26-24-25-21(14-30-24)18-11-10-16-6-2-3-7-17(16)12-18/h4-5,8-12,14H,1-3,6-7,13H2,(H,25,26,28)
• InChIKey: ZKKXYPQMEXDUBG-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.52
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide (CID 16592785) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1.

What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is ZKKXYPQMEXDUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-15-19-8-4-5-9-20(19)23(29)27(15)13-22(28)26-24-25-21(14-30-24)18-11-10-16-6-2-3-7-17(16)12-18/h4-5,8-12,14H,1-3,6-7,13H2,(H,25,26,28).

What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 415.52 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16592785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).