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

C16H26N4O2S — CID 118781049

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCc2csc(N3CCCC3)n2)C[C@H](C)O1
InChIInChI=1S/C16H26N4O2S/c1-12-8-19(9-13(2)22-12)10-15(21)17-7-14-11-23-16(18-14)20-5-3-4-6-20/h11-13H,3-10H2,1-2H3,(H,17,21)/t12-,13+
InChIKeySZXHAGYLZCUJKE-BETUJISGSA-N
MW338.48 g/mol
LogP1.47
Rot. Bonds5

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

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 118781049) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID118781049
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCc2csc(N3CCCC3)n2)C[C@H](C)O1
InChIInChI=1S/C16H26N4O2S/c1-12-8-19(9-13(2)22-12)10-15(21)17-7-14-11-23-16(18-14)20-5-3-4-6-20/h11-13H,3-10H2,1-2H3,(H,17,21)/t12-,13+
InChIKeySZXHAGYLZCUJKE-BETUJISGSA-N
XLogP1.47
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 118781049) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide is C[C@@H]1CN(CC(=O)NCc2csc(N3CCCC3)n2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is SZXHAGYLZCUJKE-BETUJISGSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-12-8-19(9-13(2)22-12)10-15(21)17-7-14-11-23-16(18-14)20-5-3-4-6-20/h11-13H,3-10H2,1-2H3,(H,17,21)/t12-,13+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 338.48 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 118781049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).