N-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine

C22H24F3N5O2S — CID 67257116

IUPACN-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOCC1CN(Cc2ncc(-c3cc(C)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CCO1
InChIInChI=1S/C22H24F3N5O2S/c1-14-7-15(9-16(8-14)28-21-26-4-3-19(29-21)22(23,24)25)18-10-27-20(33-18)12-30-5-6-32-17(11-30)13-31-2/h3-4,7-10,17H,5-6,11-13H2,1-2H3,(H,26,28,29)
InChIKeyKQPNYAHBOIWVLK-UHFFFAOYSA-N
MW479.53 g/mol
LogP4.52
Rot. Bonds7

About N-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 67257116) has the molecular formula C22H24F3N5O2S and a molecular weight of 479.53 g/mol. Its IUPAC name is N-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID67257116
Molecular FormulaC22H24F3N5O2S
Molecular Weight479.53 g/mol
Exact Mass479.16
IUPAC NameN-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOCC1CN(Cc2ncc(-c3cc(C)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CCO1
InChIInChI=1S/C22H24F3N5O2S/c1-14-7-15(9-16(8-14)28-21-26-4-3-19(29-21)22(23,24)25)18-10-27-20(33-18)12-30-5-6-32-17(11-30)13-31-2/h3-4,7-10,17H,5-6,11-13H2,1-2H3,(H,26,28,29)
InChIKeyKQPNYAHBOIWVLK-UHFFFAOYSA-N
XLogP4.52
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 67257116) is N-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine is COCC1CN(Cc2ncc(-c3cc(C)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CCO1.
What is the InChIKey of N-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KQPNYAHBOIWVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2S/c1-14-7-15(9-16(8-14)28-21-26-4-3-19(29-21)22(23,24)25)18-10-27-20(33-18)12-30-5-6-32-17(11-30)13-31-2/h3-4,7-10,17H,5-6,11-13H2,1-2H3,(H,26,28,29).
What are the key properties of N-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 479.53 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[2-(methoxymethyl)morpholin-4-yl]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 67257116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).