2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

C24H26F3N5O3S — CID 175701624

About 2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (PubChem CID 175701624) has the molecular formula C24H26F3N5O3S and a molecular weight of 521.57 g/mol. Its IUPAC name is 2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
• PubChem CID: 175701624
• Molecular Formula: C24H26F3N5O3S
• Molecular Weight: 521.57 g/mol
• Exact Mass: 521.17
• IUPAC Name: 2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
• SMILES: Cc1cnc(-c2ccc(OC[C@@H]3COCCN3C)c(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1
• InChI: InChI=1S/C24H26F3N5O3S/c1-14-9-28-22(36-14)16-4-5-20(35-13-18-12-34-7-6-32(18)3)19(8-16)21(33)31-15(2)17-10-29-23(30-11-17)24(25,26)27/h4-5,8-11,15,18H,6-7,12-13H2,1-3H3,(H,31,33)/t15-,18+/m1/s1
• InChIKey: ZXXANHVAMPXIPM-QAPCUYQASA-N
• XLogP: 4.13
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.57
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?

The IUPAC name of 2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (CID 175701624) is 2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.

What is the SMILES notation for 2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?

The canonical SMILES for 2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is Cc1cnc(-c2ccc(OC[C@@H]3COCCN3C)c(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1.

What is the InChIKey of 2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?

The InChIKey is ZXXANHVAMPXIPM-QAPCUYQASA-N. The full InChI is InChI=1S/C24H26F3N5O3S/c1-14-9-28-22(36-14)16-4-5-20(35-13-18-12-34-7-6-32(18)3)19(8-16)21(33)31-15(2)17-10-29-23(30-11-17)24(25,26)27/h4-5,8-11,15,18H,6-7,12-13H2,1-3H3,(H,31,33)/t15-,18+/m1/s1.

What are the key properties of 2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?

2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 521.57 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3S)-4-methylmorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 175701624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).