N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide

C19H23N3O5S — CID 78150430

IUPACN-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C2OCC(=O)N(Cc3scnc3C)C2CO)cc1
InChIInChI=1S/C19H23N3O5S/c1-12-16(28-11-20-12)7-22-15(8-23)19(27-10-18(22)25)13-3-5-14(6-4-13)21-17(24)9-26-2/h3-6,11,15,19,23H,7-10H2,1-2H3,(H,21,24)
InChIKeyQEISKCLHVRQBNC-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.50
Rot. Bonds7

About N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide

N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide (PubChem CID 78150430) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
PubChem CID78150430
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C2OCC(=O)N(Cc3scnc3C)C2CO)cc1
InChIInChI=1S/C19H23N3O5S/c1-12-16(28-11-20-12)7-22-15(8-23)19(27-10-18(22)25)13-3-5-14(6-4-13)21-17(24)9-26-2/h3-6,11,15,19,23H,7-10H2,1-2H3,(H,21,24)
InChIKeyQEISKCLHVRQBNC-UHFFFAOYSA-N
XLogP1.50
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide (CID 78150430) is N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(C2OCC(=O)N(Cc3scnc3C)C2CO)cc1.
What is the InChIKey of N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
The InChIKey is QEISKCLHVRQBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-12-16(28-11-20-12)7-22-15(8-23)19(27-10-18(22)25)13-3-5-14(6-4-13)21-17(24)9-26-2/h3-6,11,15,19,23H,7-10H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide has a molecular weight of 405.48 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 78150430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).