N-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

C15H21N5O2S — CID 95278503

IUPACN-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(C)c1nc(CN2CCO[C@H](Cn3cccn3)C2)cs1
InChIInChI=1S/C15H21N5O2S/c1-12(21)18(2)15-17-13(11-23-15)8-19-6-7-22-14(9-19)10-20-5-3-4-16-20/h3-5,11,14H,6-10H2,1-2H3/t14-/m0/s1
InChIKeyIJKCFTIZUQXZBI-AWEZNQCLSA-N
MW335.43 g/mol
LogP1.22
Rot. Bonds5

About N-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95278503) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID95278503
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(C)c1nc(CN2CCO[C@H](Cn3cccn3)C2)cs1
InChIInChI=1S/C15H21N5O2S/c1-12(21)18(2)15-17-13(11-23-15)8-19-6-7-22-14(9-19)10-20-5-3-4-16-20/h3-5,11,14H,6-10H2,1-2H3/t14-/m0/s1
InChIKeyIJKCFTIZUQXZBI-AWEZNQCLSA-N
XLogP1.22
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 95278503) is N-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(C)c1nc(CN2CCO[C@H](Cn3cccn3)C2)cs1.
What is the InChIKey of N-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IJKCFTIZUQXZBI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-12(21)18(2)15-17-13(11-23-15)8-19-6-7-22-14(9-19)10-20-5-3-4-16-20/h3-5,11,14H,6-10H2,1-2H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95278503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).