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

C18H13FN4OS2 — CID 118009587

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

2-fluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide (PubChem CID 118009587) has the molecular formula C18H13FN4OS2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-fluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide
• PubChem CID: 118009587
• Molecular Formula: C18H13FN4OS2
• Molecular Weight: 384.46 g/mol
• Exact Mass: 384.05
• IUPAC Name: 2-fluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide
• SMILES: Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)s1
• InChI: InChI=1S/C18H13FN4OS2/c1-11-13(10-23(22-11)18-20-8-9-25-18)15-6-7-16(26-15)21-17(24)12-4-2-3-5-14(12)19/h2-10H,1H3,(H,21,24)
• InChIKey: AMJNBTOSFGLPSM-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.46
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-fluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide (CID 118009587) is 2-fluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide.

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

The canonical SMILES for 2-fluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide is Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)s1.

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

The InChIKey is AMJNBTOSFGLPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS2/c1-11-13(10-23(22-11)18-20-8-9-25-18)15-6-7-16(26-15)21-17(24)12-4-2-3-5-14(12)19/h2-10H,1H3,(H,21,24).

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

2-fluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide is sourced from PubChem (CID 118009587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).