2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C20H25FN4O3S — CID 86941067

About 2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 86941067) has the molecular formula C20H25FN4O3S and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 86941067
• Molecular Formula: C20H25FN4O3S
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.16
• IUPAC Name: 2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
• SMILES: CC(CNC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)N1CCOCC1C
• InChI: InChI=1S/C20H25FN4O3S/c1-13(25-7-8-28-11-14(25)2)10-22-18(26)9-15-12-29-20(23-15)24-19(27)16-5-3-4-6-17(16)21/h3-6,12-14H,7-11H2,1-2H3,(H,22,26)(H,23,24,27)
• InChIKey: DRERZBBMJDLNLI-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 86941067) is 2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CC(CNC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)N1CCOCC1C.

What is the InChIKey of 2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is DRERZBBMJDLNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3S/c1-13(25-7-8-28-11-14(25)2)10-22-18(26)9-15-12-29-20(23-15)24-19(27)16-5-3-4-6-17(16)21/h3-6,12-14H,7-11H2,1-2H3,(H,22,26)(H,23,24,27).

What are the key properties of 2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 86941067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).