N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide

C16H25N3O3S — CID 75373715

IUPACN-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCOC(CN(C(=O)CC2CCOCC2)c2nccs2)C1
InChIInChI=1S/C16H25N3O3S/c1-18-5-8-22-14(11-18)12-19(16-17-4-9-23-16)15(20)10-13-2-6-21-7-3-13/h4,9,13-14H,2-3,5-8,10-12H2,1H3
InChIKeySXARDMAZSOXMAP-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.62
Rot. Bonds5

About N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide

N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 75373715) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID75373715
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCOC(CN(C(=O)CC2CCOCC2)c2nccs2)C1
InChIInChI=1S/C16H25N3O3S/c1-18-5-8-22-14(11-18)12-19(16-17-4-9-23-16)15(20)10-13-2-6-21-7-3-13/h4,9,13-14H,2-3,5-8,10-12H2,1H3
InChIKeySXARDMAZSOXMAP-UHFFFAOYSA-N
XLogP1.62
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 75373715) is N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide is CN1CCOC(CN(C(=O)CC2CCOCC2)c2nccs2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SXARDMAZSOXMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18-5-8-22-14(11-18)12-19(16-17-4-9-23-16)15(20)10-13-2-6-21-7-3-13/h4,9,13-14H,2-3,5-8,10-12H2,1H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 75373715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).