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

C14H17N5O2S — CID 86610334

IUPACN-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccnc(N3CCOCC3)n2)s1
InChIInChI=1S/C14H17N5O2S/c1-9-12(22-14(16-9)17-10(2)20)11-3-4-15-13(18-11)19-5-7-21-8-6-19/h3-4H,5-8H2,1-2H3,(H,16,17,20)
InChIKeyWOHMXFSDFHAJAF-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.70
Rot. Bonds3

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

N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 86610334) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID86610334
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccnc(N3CCOCC3)n2)s1
InChIInChI=1S/C14H17N5O2S/c1-9-12(22-14(16-9)17-10(2)20)11-3-4-15-13(18-11)19-5-7-21-8-6-19/h3-4H,5-8H2,1-2H3,(H,16,17,20)
InChIKeyWOHMXFSDFHAJAF-UHFFFAOYSA-N
XLogP1.70
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide (CID 86610334) is N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccnc(N3CCOCC3)n2)s1.
What is the InChIKey of N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is WOHMXFSDFHAJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-9-12(22-14(16-9)17-10(2)20)11-3-4-15-13(18-11)19-5-7-21-8-6-19/h3-4H,5-8H2,1-2H3,(H,16,17,20).
What are the key properties of N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 319.39 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86610334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).