N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine

C25H27N5O3S — CID 156541286

About N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine

N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 156541286) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine
• PubChem CID: 156541286
• Molecular Formula: C25H27N5O3S
• Molecular Weight: 477.59 g/mol
• Exact Mass: 477.18
• IUPAC Name: N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine
• SMILES: CCOc1ccccc1OC1CCCN(c2cncc(Nc3nc4ccc(OC)cc4s3)n2)C1
• InChI: InChI=1S/C25H27N5O3S/c1-3-32-20-8-4-5-9-21(20)33-18-7-6-12-30(16-18)24-15-26-14-23(28-24)29-25-27-19-11-10-17(31-2)13-22(19)34-25/h4-5,8-11,13-15,18H,3,6-7,12,16H2,1-2H3,(H,27,28,29)
• InChIKey: WGZJYFGKXYJCSU-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 81.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.59
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine?

The IUPAC name of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine (CID 156541286) is N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine.

What is the SMILES notation for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine?

The canonical SMILES for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine is CCOc1ccccc1OC1CCCN(c2cncc(Nc3nc4ccc(OC)cc4s3)n2)C1.

What is the InChIKey of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine?

The InChIKey is WGZJYFGKXYJCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-3-32-20-8-4-5-9-21(20)33-18-7-6-12-30(16-18)24-15-26-14-23(28-24)29-25-27-19-11-10-17(31-2)13-22(19)34-25/h4-5,8-11,13-15,18H,3,6-7,12,16H2,1-2H3,(H,27,28,29).

What are the key properties of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine?

N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 477.59 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 156541286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).