1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C18H20N4O2S2 — CID 90611616

About 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 90611616) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 90611616
• Molecular Formula: C18H20N4O2S2
• Molecular Weight: 388.52 g/mol
• Exact Mass: 388.10
• IUPAC Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
• SMILES: COc1ccc2nc(N3CCC(C(=O)Nc4ncc(C)s4)CC3)sc2c1
• InChI: InChI=1S/C18H20N4O2S2/c1-11-10-19-17(25-11)21-16(23)12-5-7-22(8-6-12)18-20-14-4-3-13(24-2)9-15(14)26-18/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,21,23)
• InChIKey: LVOIXRUODBOQMW-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.52
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 90611616) is 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is COc1ccc2nc(N3CCC(C(=O)Nc4ncc(C)s4)CC3)sc2c1.

What is the InChIKey of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The InChIKey is LVOIXRUODBOQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-11-10-19-17(25-11)21-16(23)12-5-7-22(8-6-12)18-20-14-4-3-13(24-2)9-15(14)26-18/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,21,23).

What are the key properties of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90611616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).