2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide

C21H22N2O2S2 — CID 31981402

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide (PubChem CID 31981402) has the molecular formula C21H22N2O2S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
• PubChem CID: 31981402
• Molecular Formula: C21H22N2O2S2
• Molecular Weight: 398.55 g/mol
• Exact Mass: 398.11
• IUPAC Name: 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
• SMILES: Cc1csc(=O)n1CC(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1
• InChI: InChI=1S/C21H22N2O2S2/c1-14-13-27-21(25)23(14)12-19(24)22-20(18-7-4-10-26-18)17-9-8-15-5-2-3-6-16(15)11-17/h4,7-11,13,20H,2-3,5-6,12H2,1H3,(H,22,24)/t20-/m0/s1
• InChIKey: OKMDVEZSOGWRLA-FQEVSTJZSA-N
• XLogP: 4.06
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.55
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide (CID 31981402) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide is Cc1csc(=O)n1CC(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1.

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

The InChIKey is OKMDVEZSOGWRLA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N2O2S2/c1-14-13-27-21(25)23(14)12-19(24)22-20(18-7-4-10-26-18)17-9-8-15-5-2-3-6-16(15)11-17/h4,7-11,13,20H,2-3,5-6,12H2,1H3,(H,22,24)/t20-/m0/s1.

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

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide has a molecular weight of 398.55 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 31981402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).