N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

C19H24N6OS — CID 97321128

About N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 97321128) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
• PubChem CID: 97321128
• Molecular Formula: C19H24N6OS
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.17
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
• SMILES: CCN(C(=O)CN1CCC[C@H](c2n[nH]c(C)n2)C1)c1nc2ccccc2s1
• InChI: InChI=1S/C19H24N6OS/c1-3-25(19-21-15-8-4-5-9-16(15)27-19)17(26)12-24-10-6-7-14(11-24)18-20-13(2)22-23-18/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,20,22,23)/t14-/m0/s1
• InChIKey: KVYUQLUJWHDKGB-AWEZNQCLSA-N
• XLogP: 2.96
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?

The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (CID 97321128) is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.

What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?

The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is CCN(C(=O)CN1CCC[C@H](c2n[nH]c(C)n2)C1)c1nc2ccccc2s1.

What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?

The InChIKey is KVYUQLUJWHDKGB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-3-25(19-21-15-8-4-5-9-16(15)27-19)17(26)12-24-10-6-7-14(11-24)18-20-13(2)22-23-18/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,20,22,23)/t14-/m0/s1.

What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 384.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 97321128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).