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

C18H24N4O2S — CID 146629012

IUPACN-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@@H](Cc3ccc(C)nc3)OC[C@@H]2C)s1
InChIInChI=1S/C18H24N4O2S/c1-12-4-5-15(7-19-12)6-16-9-22(13(2)11-24-16)10-17-8-20-18(25-17)21-14(3)23/h4-5,7-8,13,16H,6,9-11H2,1-3H3,(H,20,21,23)/t13-,16+/m0/s1
InChIKeyFLKYZDFENKETEM-XJKSGUPXSA-N
MW360.48 g/mol
LogP2.64
Rot. Bonds5

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

N-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146629012) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146629012
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@@H](Cc3ccc(C)nc3)OC[C@@H]2C)s1
InChIInChI=1S/C18H24N4O2S/c1-12-4-5-15(7-19-12)6-16-9-22(13(2)11-24-16)10-17-8-20-18(25-17)21-14(3)23/h4-5,7-8,13,16H,6,9-11H2,1-3H3,(H,20,21,23)/t13-,16+/m0/s1
InChIKeyFLKYZDFENKETEM-XJKSGUPXSA-N
XLogP2.64
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 146629012) is N-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2C[C@@H](Cc3ccc(C)nc3)OC[C@@H]2C)s1.
What is the InChIKey of N-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FLKYZDFENKETEM-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12-4-5-15(7-19-12)6-16-9-22(13(2)11-24-16)10-17-8-20-18(25-17)21-14(3)23/h4-5,7-8,13,16H,6,9-11H2,1-3H3,(H,20,21,23)/t13-,16+/m0/s1.
What are the key properties of N-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146629012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).