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

C26H30F3N5O3S — CID 121397576

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

3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (PubChem CID 121397576) has the molecular formula C26H30F3N5O3S and a molecular weight of 549.62 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-4-propan-2-ylmorpholin-2-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-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
• PubChem CID: 121397576
• Molecular Formula: C26H30F3N5O3S
• Molecular Weight: 549.62 g/mol
• Exact Mass: 549.20
• IUPAC Name: 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
• SMILES: Cc1cnc(-c2cc(OC[C@H]3CN(C(C)C)CCO3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1
• InChI: InChI=1S/C26H30F3N5O3S/c1-15(2)34-5-6-36-22(13-34)14-37-21-8-18(7-19(9-21)24-30-10-16(3)38-24)23(35)33-17(4)20-11-31-25(32-12-20)26(27,28)29/h7-12,15,17,22H,5-6,13-14H2,1-4H3,(H,33,35)/t17-,22-/m1/s1
• InChIKey: AOHBYHNFISDLHQ-VGOFRKELSA-N
• XLogP: 4.91
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.62
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-4-propan-2-ylmorpholin-2-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-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (CID 121397576) is 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-4-propan-2-ylmorpholin-2-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-[[(2R)-4-propan-2-ylmorpholin-2-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-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is Cc1cnc(-c2cc(OC[C@H]3CN(C(C)C)CCO3)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-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?

The InChIKey is AOHBYHNFISDLHQ-VGOFRKELSA-N. The full InChI is InChI=1S/C26H30F3N5O3S/c1-15(2)34-5-6-36-22(13-34)14-37-21-8-18(7-19(9-21)24-30-10-16(3)38-24)23(35)33-17(4)20-11-31-25(32-12-20)26(27,28)29/h7-12,15,17,22H,5-6,13-14H2,1-4H3,(H,33,35)/t17-,22-/m1/s1.

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

3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 549.62 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 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-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 121397576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).