3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide

C₂₄H₂₆N₄O₃S — CID 148828723

About 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide

3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide (PubChem CID 148828723) has the molecular formula C₂₄H₂₆N₄O₃S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide.

Molecular Properties

• Compound Name: 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide
• PubChem CID: 148828723
• Molecular Formula: C₂₄H₂₆N₄O₃S
• Molecular Weight: 450.56 g/mol
• Exact Mass: 450.17
• IUPAC Name: 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide
• SMILES: Cc1cnc(CNC(=O)c2cc(OC3CCOC3)cc(-c3ncc(C4CCC4)s3)c2)cn1
• InChI: InChI=1S/C24H26N4O3S/c1-15-10-26-19(11-25-15)12-27-23(29)17-7-18(9-21(8-17)31-20-5-6-30-14-20)24-28-13-22(32-24)16-3-2-4-16/h7-11,13,16,20H,2-6,12,14H2,1H3,(H,27,29)
• InChIKey: OTGGBVWXQKXJOW-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.56
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide?

The IUPAC name of 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide (CID 148828723) is 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide.

What is the SMILES notation for 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide?

The canonical SMILES for 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide is Cc1cnc(CNC(=O)c2cc(OC3CCOC3)cc(-c3ncc(C4CCC4)s3)c2)cn1.

What is the InChIKey of 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide?

The InChIKey is OTGGBVWXQKXJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-15-10-26-19(11-25-15)12-27-23(29)17-7-18(9-21(8-17)31-20-5-6-30-14-20)24-28-13-22(32-24)16-3-2-4-16/h7-11,13,16,20H,2-6,12,14H2,1H3,(H,27,29).

What are the key properties of 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide?

3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide has a molecular weight of 450.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide is sourced from PubChem (CID 148828723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 148828723 — identifiers, structure, computed properties (public domain)

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