2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide

C22H25N3OS — CID 9134972

About 2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide

2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 9134972) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
• PubChem CID: 9134972
• Molecular Formula: C22H25N3OS
• Molecular Weight: 379.53 g/mol
• Exact Mass: 379.17
• IUPAC Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)CN2CCCC[C@H]2c2nc3ccccc3s2)cc1C
• InChI: InChI=1S/C22H25N3OS/c1-15-10-11-17(13-16(15)2)23-21(26)14-25-12-6-5-8-19(25)22-24-18-7-3-4-9-20(18)27-22/h3-4,7,9-11,13,19H,5-6,8,12,14H2,1-2H3,(H,23,26)/t19-/m0/s1
• InChIKey: SLFVBNJWGWDFIQ-IBGZPJMESA-N
• XLogP: 5.08
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.53
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?

The IUPAC name of 2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 9134972) is 2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide.

What is the SMILES notation for 2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?

The canonical SMILES for 2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCCC[C@H]2c2nc3ccccc3s2)cc1C.

What is the InChIKey of 2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?

The InChIKey is SLFVBNJWGWDFIQ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3OS/c1-15-10-11-17(13-16(15)2)23-21(26)14-25-12-6-5-8-19(25)22-24-18-7-3-4-9-20(18)27-22/h3-4,7,9-11,13,19H,5-6,8,12,14H2,1-2H3,(H,23,26)/t19-/m0/s1.

What are the key properties of 2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?

2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 379.53 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 9134972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).