N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H20FN5O2S — CID 146628914

IUPACN-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@H](Cc3ncc(F)cn3)O[C@H](C)C2)s1
InChIInChI=1S/C16H20FN5O2S/c1-10-7-22(9-14-6-20-16(25-14)21-11(2)23)8-13(24-10)3-15-18-4-12(17)5-19-15/h4-6,10,13H,3,7-9H2,1-2H3,(H,20,21,23)/t10-,13+/m1/s1
InChIKeyCBXPADGVWMYEMV-MFKMUULPSA-N
MW365.43 g/mol
LogP1.86
Rot. Bonds5

About N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146628914) has the molecular formula C16H20FN5O2S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146628914
Molecular FormulaC16H20FN5O2S
Molecular Weight365.43 g/mol
Exact Mass365.13
IUPAC NameN-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@H](Cc3ncc(F)cn3)O[C@H](C)C2)s1
InChIInChI=1S/C16H20FN5O2S/c1-10-7-22(9-14-6-20-16(25-14)21-11(2)23)8-13(24-10)3-15-18-4-12(17)5-19-15/h4-6,10,13H,3,7-9H2,1-2H3,(H,20,21,23)/t10-,13+/m1/s1
InChIKeyCBXPADGVWMYEMV-MFKMUULPSA-N
XLogP1.86
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 146628914) is N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2C[C@H](Cc3ncc(F)cn3)O[C@H](C)C2)s1.
What is the InChIKey of N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CBXPADGVWMYEMV-MFKMUULPSA-N. The full InChI is InChI=1S/C16H20FN5O2S/c1-10-7-22(9-14-6-20-16(25-14)21-11(2)23)8-13(24-10)3-15-18-4-12(17)5-19-15/h4-6,10,13H,3,7-9H2,1-2H3,(H,20,21,23)/t10-,13+/m1/s1.
What are the key properties of N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146628914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).