2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol

C22H24F3N5O2S — CID 67260797

IUPAC2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CN3CCOC(CCO)C3)s2)c1
InChIInChI=1S/C22H24F3N5O2S/c1-14-8-15(10-16(9-14)28-21-26-4-2-19(29-21)22(23,24)25)18-11-27-20(33-18)13-30-5-7-32-17(12-30)3-6-31/h2,4,8-11,17,31H,3,5-7,12-13H2,1H3,(H,26,28,29)
InChIKeyFMIQMPBQHMIVOV-UHFFFAOYSA-N
MW479.53 g/mol
LogP4.25
Rot. Bonds7

About 2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol

2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol (PubChem CID 67260797) has the molecular formula C22H24F3N5O2S and a molecular weight of 479.53 g/mol. Its IUPAC name is 2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol
PubChem CID67260797
Molecular FormulaC22H24F3N5O2S
Molecular Weight479.53 g/mol
Exact Mass479.16
IUPAC Name2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CN3CCOC(CCO)C3)s2)c1
InChIInChI=1S/C22H24F3N5O2S/c1-14-8-15(10-16(9-14)28-21-26-4-2-19(29-21)22(23,24)25)18-11-27-20(33-18)13-30-5-7-32-17(12-30)3-6-31/h2,4,8-11,17,31H,3,5-7,12-13H2,1H3,(H,26,28,29)
InChIKeyFMIQMPBQHMIVOV-UHFFFAOYSA-N
XLogP4.25
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol?
The IUPAC name of 2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol (CID 67260797) is 2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol?
The canonical SMILES for 2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CN3CCOC(CCO)C3)s2)c1.
What is the InChIKey of 2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol?
The InChIKey is FMIQMPBQHMIVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2S/c1-14-8-15(10-16(9-14)28-21-26-4-2-19(29-21)22(23,24)25)18-11-27-20(33-18)13-30-5-7-32-17(12-30)3-6-31/h2,4,8-11,17,31H,3,5-7,12-13H2,1H3,(H,26,28,29).
What are the key properties of 2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol?
2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol has a molecular weight of 479.53 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]morpholin-2-yl]ethanol is sourced from PubChem (CID 67260797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).