3-[[(3R)-4-methyl-6-oxomorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

C24H24F3N5O4S — CID 134391360

IUPAC3-[[(3R)-4-methyl-6-oxomorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
SMILESCc1cnc(-c2cc(OC[C@@H]3COC(=O)CN3C)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1
InChIInChI=1S/C24H24F3N5O4S/c1-13-7-28-22(37-13)16-4-15(5-19(6-16)35-11-18-12-36-20(33)10-32(18)3)21(34)31-14(2)17-8-29-23(30-9-17)24(25,26)27/h4-9,14,18H,10-12H2,1-3H3,(H,31,34)/t14-,18-/m1/s1
InChIKeyJINXRBWBLDWPDI-RDTXWAMCSA-N
MW535.55 g/mol
LogP3.65
Rot. Bonds7

About 3-[[(3R)-4-methyl-6-oxomorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

3-[[(3R)-4-methyl-6-oxomorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (PubChem CID 134391360) has the molecular formula C24H24F3N5O4S and a molecular weight of 535.55 g/mol. Its IUPAC name is 3-[[(3R)-4-methyl-6-oxomorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-[[(3R)-4-methyl-6-oxomorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
PubChem CID134391360
Molecular FormulaC24H24F3N5O4S
Molecular Weight535.55 g/mol
Exact Mass535.15
IUPAC Name3-[[(3R)-4-methyl-6-oxomorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
SMILESCc1cnc(-c2cc(OC[C@@H]3COC(=O)CN3C)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1
InChIInChI=1S/C24H24F3N5O4S/c1-13-7-28-22(37-13)16-4-15(5-19(6-16)35-11-18-12-36-20(33)10-32(18)3)21(34)31-14(2)17-8-29-23(30-9-17)24(25,26)27/h4-9,14,18H,10-12H2,1-3H3,(H,31,34)/t14-,18-/m1/s1
InChIKeyJINXRBWBLDWPDI-RDTXWAMCSA-N
XLogP3.65
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-4-methyl-6-oxomorpholin-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 3-[[(3R)-4-methyl-6-oxomorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (CID 134391360) is 3-[[(3R)-4-methyl-6-oxomorpholin-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 3-[[(3R)-4-methyl-6-oxomorpholin-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 3-[[(3R)-4-methyl-6-oxomorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is Cc1cnc(-c2cc(OC[C@@H]3COC(=O)CN3C)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1.
What is the InChIKey of 3-[[(3R)-4-methyl-6-oxomorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?
The InChIKey is JINXRBWBLDWPDI-RDTXWAMCSA-N. The full InChI is InChI=1S/C24H24F3N5O4S/c1-13-7-28-22(37-13)16-4-15(5-19(6-16)35-11-18-12-36-20(33)10-32(18)3)21(34)31-14(2)17-8-29-23(30-9-17)24(25,26)27/h4-9,14,18H,10-12H2,1-3H3,(H,31,34)/t14-,18-/m1/s1.
What are the key properties of 3-[[(3R)-4-methyl-6-oxomorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?
3-[[(3R)-4-methyl-6-oxomorpholin-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 535.55 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-4-methyl-6-oxomorpholin-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 134391360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).