2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C18H16FN3O3S — CID 55719710

About 2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 55719710) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 55719710
• Molecular Formula: C18H16FN3O3S
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.09
• IUPAC Name: 2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
• SMILES: CN(Cc1ccco1)C(=O)Cc1csc(NC(=O)c2ccccc2F)n1
• InChI: InChI=1S/C18H16FN3O3S/c1-22(10-13-5-4-8-25-13)16(23)9-12-11-26-18(20-12)21-17(24)14-6-2-3-7-15(14)19/h2-8,11H,9-10H2,1H3,(H,20,21,24)
• InChIKey: YTKIVQOMZSSLAD-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 55719710) is 2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CN(Cc1ccco1)C(=O)Cc1csc(NC(=O)c2ccccc2F)n1.

What is the InChIKey of 2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is YTKIVQOMZSSLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-22(10-13-5-4-8-25-13)16(23)9-12-11-26-18(20-12)21-17(24)14-6-2-3-7-15(14)19/h2-8,11H,9-10H2,1H3,(H,20,21,24).

What are the key properties of 2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55719710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).