3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one

C13H21N3O2S — CID 115684306

IUPAC3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCc1ncc(CNCCC(=O)N2CCOCC2)s1
InChIInChI=1S/C13H21N3O2S/c1-2-12-15-10-11(19-12)9-14-4-3-13(17)16-5-7-18-8-6-16/h10,14H,2-9H2,1H3
InChIKeyFTULLLMPXBUWMU-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.04
Rot. Bonds6

About 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one

3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115684306) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115684306
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCc1ncc(CNCCC(=O)N2CCOCC2)s1
InChIInChI=1S/C13H21N3O2S/c1-2-12-15-10-11(19-12)9-14-4-3-13(17)16-5-7-18-8-6-16/h10,14H,2-9H2,1H3
InChIKeyFTULLLMPXBUWMU-UHFFFAOYSA-N
XLogP1.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.04
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 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one (CID 115684306) is 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one is CCc1ncc(CNCCC(=O)N2CCOCC2)s1.
What is the InChIKey of 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is FTULLLMPXBUWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-12-15-10-11(19-12)9-14-4-3-13(17)16-5-7-18-8-6-16/h10,14H,2-9H2,1H3.
What are the key properties of 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 283.40 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115684306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).