N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H18F3N5O2S — CID 146629140

IUPACN-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCO[C@H](Cc3ccnc(C(F)(F)F)n3)C2)s1
InChIInChI=1S/C16H18F3N5O2S/c1-10(25)22-15-21-7-13(27-15)9-24-4-5-26-12(8-24)6-11-2-3-20-14(23-11)16(17,18)19/h2-3,7,12H,4-6,8-9H2,1H3,(H,21,22,25)/t12-/m1/s1
InChIKeyAKRYOOPOKFIGFA-GFCCVEGCSA-N
MW401.41 g/mol
LogP2.35
Rot. Bonds5

About N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146629140) has the molecular formula C16H18F3N5O2S and a molecular weight of 401.41 g/mol. Its IUPAC name is N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146629140
Molecular FormulaC16H18F3N5O2S
Molecular Weight401.41 g/mol
Exact Mass401.11
IUPAC NameN-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCO[C@H](Cc3ccnc(C(F)(F)F)n3)C2)s1
InChIInChI=1S/C16H18F3N5O2S/c1-10(25)22-15-21-7-13(27-15)9-24-4-5-26-12(8-24)6-11-2-3-20-14(23-11)16(17,18)19/h2-3,7,12H,4-6,8-9H2,1H3,(H,21,22,25)/t12-/m1/s1
InChIKeyAKRYOOPOKFIGFA-GFCCVEGCSA-N
XLogP2.35
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 146629140) is N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCO[C@H](Cc3ccnc(C(F)(F)F)n3)C2)s1.
What is the InChIKey of N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is AKRYOOPOKFIGFA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18F3N5O2S/c1-10(25)22-15-21-7-13(27-15)9-24-4-5-26-12(8-24)6-11-2-3-20-14(23-11)16(17,18)19/h2-3,7,12H,4-6,8-9H2,1H3,(H,21,22,25)/t12-/m1/s1.
What are the key properties of N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 401.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146629140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).