1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one

C14H23N3O2S — CID 96519867

IUPAC1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one
SMILESCC[C@](C)(NCCC(=O)N1CCOCC1)c1nccs1
InChIInChI=1S/C14H23N3O2S/c1-3-14(2,13-15-6-11-20-13)16-5-4-12(18)17-7-9-19-10-8-17/h6,11,16H,3-5,7-10H2,1-2H3/t14-/m0/s1
InChIKeyMOTZFMNVXFNRFX-AWEZNQCLSA-N
MW297.42 g/mol
LogP1.61
Rot. Bonds6

About 1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one

1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one (PubChem CID 96519867) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one
PubChem CID96519867
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one
SMILESCC[C@](C)(NCCC(=O)N1CCOCC1)c1nccs1
InChIInChI=1S/C14H23N3O2S/c1-3-14(2,13-15-6-11-20-13)16-5-4-12(18)17-7-9-19-10-8-17/h6,11,16H,3-5,7-10H2,1-2H3/t14-/m0/s1
InChIKeyMOTZFMNVXFNRFX-AWEZNQCLSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one (CID 96519867) is 1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one is CC[C@](C)(NCCC(=O)N1CCOCC1)c1nccs1.
What is the InChIKey of 1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one?
The InChIKey is MOTZFMNVXFNRFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-14(2,13-15-6-11-20-13)16-5-4-12(18)17-7-9-19-10-8-17/h6,11,16H,3-5,7-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one?
1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one has a molecular weight of 297.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one is sourced from PubChem (CID 96519867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).