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

C8H11N3O2S — CID 87545763

IUPAC4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one
SMILESNc1nc(CN2CCOCC2=O)cs1
InChIInChI=1S/C8H11N3O2S/c9-8-10-6(5-14-8)3-11-1-2-13-4-7(11)12/h5H,1-4H2,(H2,9,10)
InChIKeyOICKGITUBXRZKZ-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.08
Rot. Bonds2

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

4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one (PubChem CID 87545763) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one
PubChem CID87545763
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one
SMILESNc1nc(CN2CCOCC2=O)cs1
InChIInChI=1S/C8H11N3O2S/c9-8-10-6(5-14-8)3-11-1-2-13-4-7(11)12/h5H,1-4H2,(H2,9,10)
InChIKeyOICKGITUBXRZKZ-UHFFFAOYSA-N
XLogP0.08
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one?
The IUPAC name of 4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one (CID 87545763) is 4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one.
What is the SMILES notation for 4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one?
The canonical SMILES for 4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one is Nc1nc(CN2CCOCC2=O)cs1.
What is the InChIKey of 4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one?
The InChIKey is OICKGITUBXRZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c9-8-10-6(5-14-8)3-11-1-2-13-4-7(11)12/h5H,1-4H2,(H2,9,10).
What are the key properties of 4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one?
4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one has a molecular weight of 213.26 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1,3-thiazol-4-yl)methyl]morpholin-3-one is sourced from PubChem (CID 87545763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).