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

C23H22F3N5O4S — CID 121405133

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

3-(5-methyl-1,3-thiazol-2-yl)-5-[(5-oxomorpholin-3-yl)methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (PubChem CID 121405133) has the molecular formula C23H22F3N5O4S and a molecular weight of 521.52 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-2-yl)-5-[(5-oxomorpholin-3-yl)methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-(5-methyl-1,3-thiazol-2-yl)-5-[(5-oxomorpholin-3-yl)methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
• PubChem CID: 121405133
• Molecular Formula: C23H22F3N5O4S
• Molecular Weight: 521.52 g/mol
• Exact Mass: 521.13
• IUPAC Name: 3-(5-methyl-1,3-thiazol-2-yl)-5-[(5-oxomorpholin-3-yl)methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
• SMILES: Cc1cnc(-c2cc(OCC3COCC(=O)N3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1
• InChI: InChI=1S/C23H22F3N5O4S/c1-12-6-27-21(36-12)15-3-14(4-18(5-15)35-10-17-9-34-11-19(32)31-17)20(33)30-13(2)16-7-28-22(29-8-16)23(24,25)26/h3-8,13,17H,9-11H2,1-2H3,(H,30,33)(H,31,32)/t13-,17?/m1/s1
• InChIKey: QBCIMXIDQXCQLC-FWJOYPJLSA-N
• XLogP: 3.31
• TPSA: 115.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.52
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-5-[(5-oxomorpholin-3-yl)methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (CID 121405133) is 3-(5-methyl-1,3-thiazol-2-yl)-5-[(5-oxomorpholin-3-yl)methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.

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

The canonical SMILES for 3-(5-methyl-1,3-thiazol-2-yl)-5-[(5-oxomorpholin-3-yl)methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is Cc1cnc(-c2cc(OCC3COCC(=O)N3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1.

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

The InChIKey is QBCIMXIDQXCQLC-FWJOYPJLSA-N. The full InChI is InChI=1S/C23H22F3N5O4S/c1-12-6-27-21(36-12)15-3-14(4-18(5-15)35-10-17-9-34-11-19(32)31-17)20(33)30-13(2)16-7-28-22(29-8-16)23(24,25)26/h3-8,13,17H,9-11H2,1-2H3,(H,30,33)(H,31,32)/t13-,17?/m1/s1.

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

3-(5-methyl-1,3-thiazol-2-yl)-5-[(5-oxomorpholin-3-yl)methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 521.52 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methyl-1,3-thiazol-2-yl)-5-[(5-oxomorpholin-3-yl)methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 121405133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).