2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide

C19H15FN6OS — CID 118009556

About 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide

2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide (PubChem CID 118009556) has the molecular formula C19H15FN6OS and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide
• PubChem CID: 118009556
• Molecular Formula: C19H15FN6OS
• Molecular Weight: 394.44 g/mol
• Exact Mass: 394.10
• IUPAC Name: 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide
• SMILES: Cc1cccc(F)c1C(=O)Nc1cnc(-c2cn(-c3nccs3)nc2C)cn1
• InChI: InChI=1S/C19H15FN6OS/c1-11-4-3-5-14(20)17(11)18(27)24-16-9-22-15(8-23-16)13-10-26(25-12(13)2)19-21-6-7-28-19/h3-10H,1-2H3,(H,23,24,27)
• InChIKey: LHJDIKITLYQKHW-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.44
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide?

The IUPAC name of 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide (CID 118009556) is 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide.

What is the SMILES notation for 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide?

The canonical SMILES for 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide is Cc1cccc(F)c1C(=O)Nc1cnc(-c2cn(-c3nccs3)nc2C)cn1.

What is the InChIKey of 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide?

The InChIKey is LHJDIKITLYQKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6OS/c1-11-4-3-5-14(20)17(11)18(27)24-16-9-22-15(8-23-16)13-10-26(25-12(13)2)19-21-6-7-28-19/h3-10H,1-2H3,(H,23,24,27).

What are the key properties of 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide?

2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide has a molecular weight of 394.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 118009556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).