2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide

C19H17N3O2S2 — CID 46966595

About 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide

2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide (PubChem CID 46966595) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
• PubChem CID: 46966595
• Molecular Formula: C19H17N3O2S2
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.08
• IUPAC Name: 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
• SMILES: O=C(CC1NC(=O)c2ccccc21)NC(Cc1ccsc1)c1nccs1
• InChI: InChI=1S/C19H17N3O2S2/c23-17(10-15-13-3-1-2-4-14(13)18(24)22-15)21-16(19-20-6-8-26-19)9-12-5-7-25-11-12/h1-8,11,15-16H,9-10H2,(H,21,23)(H,22,24)
• InChIKey: YTFJNLOAHRAAIC-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide?

The IUPAC name of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide (CID 46966595) is 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide.

What is the SMILES notation for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide?

The canonical SMILES for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide is O=C(CC1NC(=O)c2ccccc21)NC(Cc1ccsc1)c1nccs1.

What is the InChIKey of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide?

The InChIKey is YTFJNLOAHRAAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c23-17(10-15-13-3-1-2-4-14(13)18(24)22-15)21-16(19-20-6-8-26-19)9-12-5-7-25-11-12/h1-8,11,15-16H,9-10H2,(H,21,23)(H,22,24).

What are the key properties of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide?

2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide has a molecular weight of 383.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 46966595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).