N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

C38H40N10O6S2 — CID 157299656

About N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 157299656) has the molecular formula C38H40N10O6S2 and a molecular weight of 796.94 g/mol. Its IUPAC name is N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
• PubChem CID: 157299656
• Molecular Formula: C38H40N10O6S2
• Molecular Weight: 796.94 g/mol
• Exact Mass: 796.26
• IUPAC Name: N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc2ccc(-c3ccnc(OC4CCN(C)CC4)n3)cc2s1.CC(=O)Nc1nc2ccc(-c3ccnc(OCCCN4CCOC4=O)n3)cc2s1
• InChI: InChI=1S/C19H19N5O4S.C19H21N5O2S/c1-12(25)21-18-23-15-4-3-13(11-16(15)29-18)14-5-6-20-17(22-14)27-9-2-7-24-8-10-28-19(24)26;1-12(25)21-19-23-16-4-3-13(11-17(16)27-19)15-5-8-20-18(22-15)26-14-6-9-24(2)10-7-14/h3-6,11H,2,7-10H2,1H3,(H,21,23,25);3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,21,23,25)
• InChIKey: BBTGEKBEIUFUIZ-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 186.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	796.94
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?

The IUPAC name of N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (CID 157299656) is N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.

What is the SMILES notation for N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?

The canonical SMILES for N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3ccnc(OC4CCN(C)CC4)n3)cc2s1.CC(=O)Nc1nc2ccc(-c3ccnc(OCCCN4CCOC4=O)n3)cc2s1.

What is the InChIKey of N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?

The InChIKey is BBTGEKBEIUFUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S.C19H21N5O2S/c1-12(25)21-18-23-15-4-3-13(11-16(15)29-18)14-5-6-20-17(22-14)27-9-2-7-24-8-10-28-19(24)26;1-12(25)21-19-23-16-4-3-13(11-17(16)27-19)15-5-8-20-18(22-15)26-14-6-9-24(2)10-7-14/h3-6,11H,2,7-10H2,1H3,(H,21,23,25);3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,21,23,25).

What are the key properties of N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?

N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 796.94 g/mol, XLogP of 6.12, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 157299656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).