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

C22H24N4O3S — CID 134328164

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

N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide (PubChem CID 134328164) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide
• PubChem CID: 134328164
• Molecular Formula: C22H24N4O3S
• Molecular Weight: 424.53 g/mol
• Exact Mass: 424.16
• IUPAC Name: N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide
• SMILES: Cc1cnc(CNC(=O)c2cc(OCC3CCCO3)cc(-c3ncc(C)s3)c2)cn1
• InChI: InChI=1S/C22H24N4O3S/c1-14-9-24-18(11-23-14)12-25-21(27)16-6-17(22-26-10-15(2)30-22)8-20(7-16)29-13-19-4-3-5-28-19/h6-11,19H,3-5,12-13H2,1-2H3,(H,25,27)
• InChIKey: UMCJOKLDVAQWOA-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.53
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide (CID 134328164) is N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide.

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

The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide is Cc1cnc(CNC(=O)c2cc(OCC3CCCO3)cc(-c3ncc(C)s3)c2)cn1.

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

The InChIKey is UMCJOKLDVAQWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14-9-24-18(11-23-14)12-25-21(27)16-6-17(22-26-10-15(2)30-22)8-20(7-16)29-13-19-4-3-5-28-19/h6-11,19H,3-5,12-13H2,1-2H3,(H,25,27).

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

N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 424.53 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 134328164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).