3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide

C26H28N4O2S — CID 44896085

About 3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide

3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 44896085) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is 3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
• PubChem CID: 44896085
• Molecular Formula: C26H28N4O2S
• Molecular Weight: 460.60 g/mol
• Exact Mass: 460.19
• IUPAC Name: 3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
• SMILES: COc1cc2ccccc2cc1C(=O)NCCN1CCN(c2nc3ccc(C)cc3s2)CC1
• InChI: InChI=1S/C26H28N4O2S/c1-18-7-8-22-24(15-18)33-26(28-22)30-13-11-29(12-14-30)10-9-27-25(31)21-16-19-5-3-4-6-20(19)17-23(21)32-2/h3-8,15-17H,9-14H2,1-2H3,(H,27,31)
• InChIKey: UUYBEFPIVPSESL-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.60
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?

The IUPAC name of 3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide (CID 44896085) is 3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide.

What is the SMILES notation for 3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?

The canonical SMILES for 3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NCCN1CCN(c2nc3ccc(C)cc3s2)CC1.

What is the InChIKey of 3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?

The InChIKey is UUYBEFPIVPSESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-18-7-8-22-24(15-18)33-26(28-22)30-13-11-29(12-14-30)10-9-27-25(31)21-16-19-5-3-4-6-20(19)17-23(21)32-2/h3-8,15-17H,9-14H2,1-2H3,(H,27,31).

What are the key properties of 3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?

3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 44896085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).