2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

C20H19N3O2S3 — CID 4292505

About 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 4292505) has the molecular formula C20H19N3O2S3 and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 4292505
• Molecular Formula: C20H19N3O2S3
• Molecular Weight: 429.59 g/mol
• Exact Mass: 429.06
• IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
• SMILES: O=C(CSCC(=O)N1CCCc2ccccc21)Nc1nc(-c2cccs2)cs1
• InChI: InChI=1S/C20H19N3O2S3/c24-18(22-20-21-15(11-28-20)17-8-4-10-27-17)12-26-13-19(25)23-9-3-6-14-5-1-2-7-16(14)23/h1-2,4-5,7-8,10-11H,3,6,9,12-13H2,(H,21,22,24)
• InChIKey: ILLWFRFRXGASJE-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.59
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 4292505) is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is O=C(CSCC(=O)N1CCCc2ccccc21)Nc1nc(-c2cccs2)cs1.

What is the InChIKey of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?

The InChIKey is ILLWFRFRXGASJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S3/c24-18(22-20-21-15(11-28-20)17-8-4-10-27-17)12-26-13-19(25)23-9-3-6-14-5-1-2-7-16(14)23/h1-2,4-5,7-8,10-11H,3,6,9,12-13H2,(H,21,22,24).

What are the key properties of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?

2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 429.59 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4292505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).