N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C22H18N4O3S — CID 16592135

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 16592135) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
• PubChem CID: 16592135
• Molecular Formula: C22H18N4O3S
• Molecular Weight: 418.48 g/mol
• Exact Mass: 418.11
• IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
• SMILES: C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1
• InChI: InChI=1S/C22H18N4O3S/c1-13-17-5-3-4-6-18(17)21(29)26(13)11-20(28)25-22-24-19(12-30-22)15-7-9-16(10-8-15)23-14(2)27/h3-10,12H,1,11H2,2H3,(H,23,27)(H,24,25,28)
• InChIKey: VBNGXZFIZPVFRW-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.48
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?

The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 16592135) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?

The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1.

What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?

The InChIKey is VBNGXZFIZPVFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-13-17-5-3-4-6-18(17)21(29)26(13)11-20(28)25-22-24-19(12-30-22)15-7-9-16(10-8-15)23-14(2)27/h3-10,12H,1,11H2,2H3,(H,23,27)(H,24,25,28).

What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 418.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 16592135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).