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

C9H13N3O2S — CID 87545771

IUPAC4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one
SMILESNc1nc(CCN2CCOCC2=O)cs1
InChIInChI=1S/C9H13N3O2S/c10-9-11-7(6-15-9)1-2-12-3-4-14-5-8(12)13/h6H,1-5H2,(H2,10,11)
InChIKeyYGYLJUUGRMIXMX-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.13
Rot. Bonds3

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

4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one (PubChem CID 87545771) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one
PubChem CID87545771
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one
SMILESNc1nc(CCN2CCOCC2=O)cs1
InChIInChI=1S/C9H13N3O2S/c10-9-11-7(6-15-9)1-2-12-3-4-14-5-8(12)13/h6H,1-5H2,(H2,10,11)
InChIKeyYGYLJUUGRMIXMX-UHFFFAOYSA-N
XLogP0.13
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one?
The IUPAC name of 4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one (CID 87545771) is 4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one?
The canonical SMILES for 4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one is Nc1nc(CCN2CCOCC2=O)cs1.
What is the InChIKey of 4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one?
The InChIKey is YGYLJUUGRMIXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-9-11-7(6-15-9)1-2-12-3-4-14-5-8(12)13/h6H,1-5H2,(H2,10,11).
What are the key properties of 4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one?
4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one has a molecular weight of 227.29 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]morpholin-3-one is sourced from PubChem (CID 87545771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).