N-[(5-methylpyrazin-2-yl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide

C23H21N5O2S — CID 121397645

About N-[(5-methylpyrazin-2-yl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide

N-[(5-methylpyrazin-2-yl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 121397645) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[(5-methylpyrazin-2-yl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 121397645
• Molecular Formula: C23H21N5O2S
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.14
• IUPAC Name: N-[(5-methylpyrazin-2-yl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide
• SMILES: Cc1cnc(CNC(=O)c2cc(Oc3ccnc(C)c3)cc(-c3ncc(C)s3)c2)cn1
• InChI: InChI=1S/C23H21N5O2S/c1-14-6-20(4-5-24-14)30-21-8-17(7-18(9-21)23-28-11-16(3)31-23)22(29)27-13-19-12-25-15(2)10-26-19/h4-12H,13H2,1-3H3,(H,27,29)
• InChIKey: FHRXECCRJLFVTP-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 89.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	4.64
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-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 121397645) is N-[(5-methylpyrazin-2-yl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(CNC(=O)c2cc(Oc3ccnc(C)c3)cc(-c3ncc(C)s3)c2)cn1.

What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?

The InChIKey is FHRXECCRJLFVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-14-6-20(4-5-24-14)30-21-8-17(7-18(9-21)23-28-11-16(3)31-23)22(29)27-13-19-12-25-15(2)10-26-19/h4-12H,13H2,1-3H3,(H,27,29).

What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?

N-[(5-methylpyrazin-2-yl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 431.52 g/mol, XLogP of 4.64, 6 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-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 121397645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).