4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C16H16N6OS — CID 154570009

About 4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 154570009) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 154570009
• Molecular Formula: C16H16N6OS
• Molecular Weight: 340.41 g/mol
• Exact Mass: 340.11
• IUPAC Name: 4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: CCc1nc(-c2ncccn2)sc1C(=O)NCc1cnc(C)cn1
• InChI: InChI=1S/C16H16N6OS/c1-3-12-13(24-16(22-12)14-17-5-4-6-18-14)15(23)21-9-11-8-19-10(2)7-20-11/h4-8H,3,9H2,1-2H3,(H,21,23)
• InChIKey: MQPXFEHWLQNJDG-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 93.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.41
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 154570009) is 4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCc1cnc(C)cn1.

What is the InChIKey of 4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is MQPXFEHWLQNJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-3-12-13(24-16(22-12)14-17-5-4-6-18-14)15(23)21-9-11-8-19-10(2)7-20-11/h4-8H,3,9H2,1-2H3,(H,21,23).

What are the key properties of 4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154570009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).