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

C14H23N3O2S — CID 118763842

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCCCc2nccs2)C[C@H](C)O1
InChIInChI=1S/C14H23N3O2S/c1-11-8-17(9-12(2)19-11)10-13(18)15-5-3-4-14-16-6-7-20-14/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,15,18)/t11-,12+
InChIKeyAQPWRVMVFTYYIT-TXEJJXNPSA-N
MW297.42 g/mol
LogP1.30
Rot. Bonds6

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

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 118763842) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide
PubChem CID118763842
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCCCc2nccs2)C[C@H](C)O1
InChIInChI=1S/C14H23N3O2S/c1-11-8-17(9-12(2)19-11)10-13(18)15-5-3-4-14-16-6-7-20-14/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,15,18)/t11-,12+
InChIKeyAQPWRVMVFTYYIT-TXEJJXNPSA-N
XLogP1.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide (CID 118763842) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide is C[C@@H]1CN(CC(=O)NCCCc2nccs2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is AQPWRVMVFTYYIT-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-8-17(9-12(2)19-11)10-13(18)15-5-3-4-14-16-6-7-20-14/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,15,18)/t11-,12+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 297.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 118763842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).