N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide

C20H23N5O2S — CID 57462820

About N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide

N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide (PubChem CID 57462820) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide
• PubChem CID: 57462820
• Molecular Formula: C20H23N5O2S
• Molecular Weight: 397.50 g/mol
• Exact Mass: 397.16
• IUPAC Name: N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide
• SMILES: Cc1ccc(-c2cc(NC(=O)CN3CCN[C@H](C)C3)cc(-c3nccs3)n2)o1
• InChI: InChI=1S/C20H23N5O2S/c1-13-11-25(7-5-21-13)12-19(26)23-15-9-16(18-4-3-14(2)27-18)24-17(10-15)20-22-6-8-28-20/h3-4,6,8-10,13,21H,5,7,11-12H2,1-2H3,(H,23,24,26)/t13-/m1/s1
• InChIKey: IHTFNLRDDYYHBQ-CYBMUJFWSA-N
• XLogP: 3.01
• TPSA: 83.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide?

The IUPAC name of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide (CID 57462820) is N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide.

What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide?

The canonical SMILES for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide is Cc1ccc(-c2cc(NC(=O)CN3CCN[C@H](C)C3)cc(-c3nccs3)n2)o1.

What is the InChIKey of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide?

The InChIKey is IHTFNLRDDYYHBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-13-11-25(7-5-21-13)12-19(26)23-15-9-16(18-4-3-14(2)27-18)24-17(10-15)20-22-6-8-28-20/h3-4,6,8-10,13,21H,5,7,11-12H2,1-2H3,(H,23,24,26)/t13-/m1/s1.

What are the key properties of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide?

N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 57462820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).