N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C16H27N3O3S — CID 29299803

IUPACN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C16H27N3O3S/c1-11-9-23-15(21)19(11)8-14(20)17-10-16(4,5)18-6-12(2)22-13(3)7-18/h9,12-13H,6-8,10H2,1-5H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyABBJQHJBVUSIJR-CHWSQXEVSA-N
MW341.48 g/mol
LogP1.22
Rot. Bonds5

About N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 29299803) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID29299803
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C16H27N3O3S/c1-11-9-23-15(21)19(11)8-14(20)17-10-16(4,5)18-6-12(2)22-13(3)7-18/h9,12-13H,6-8,10H2,1-5H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyABBJQHJBVUSIJR-CHWSQXEVSA-N
XLogP1.22
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 29299803) is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is ABBJQHJBVUSIJR-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-11-9-23-15(21)19(11)8-14(20)17-10-16(4,5)18-6-12(2)22-13(3)7-18/h9,12-13H,6-8,10H2,1-5H3,(H,17,20)/t12-,13-/m1/s1.
What are the key properties of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 341.48 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 29299803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).