4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one

C11H17N3O2S — CID 79775133

IUPAC4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one
SMILESCCCNc1ncc(CN2CCOCC2=O)s1
InChIInChI=1S/C11H17N3O2S/c1-2-3-12-11-13-6-9(17-11)7-14-4-5-16-8-10(14)15/h6H,2-5,7-8H2,1H3,(H,12,13)
InChIKeyUCSLLCJXHRJRLU-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.32
Rot. Bonds5

About 4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one

4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one (PubChem CID 79775133) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one
PubChem CID79775133
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one
SMILESCCCNc1ncc(CN2CCOCC2=O)s1
InChIInChI=1S/C11H17N3O2S/c1-2-3-12-11-13-6-9(17-11)7-14-4-5-16-8-10(14)15/h6H,2-5,7-8H2,1H3,(H,12,13)
InChIKeyUCSLLCJXHRJRLU-UHFFFAOYSA-N
XLogP1.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one?
The IUPAC name of 4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one (CID 79775133) is 4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one?
The canonical SMILES for 4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one is CCCNc1ncc(CN2CCOCC2=O)s1.
What is the InChIKey of 4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one?
The InChIKey is UCSLLCJXHRJRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-3-12-11-13-6-9(17-11)7-14-4-5-16-8-10(14)15/h6H,2-5,7-8H2,1H3,(H,12,13).
What are the key properties of 4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one?
4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one has a molecular weight of 255.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one is sourced from PubChem (CID 79775133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).