2-morpholin-4-yl-1,3-thiazol-4-one

C7H10N2O2S — CID 704317

IUPAC2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1CSC(N2CCOCC2)=N1
InChIInChI=1S/C7H10N2O2S/c10-6-5-12-7(8-6)9-1-3-11-4-2-9/h1-5H2
InChIKeyHKPOETYJKCUXBF-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.05
Rot. Bonds

About 2-morpholin-4-yl-1,3-thiazol-4-one

2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 704317) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID704317
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1CSC(N2CCOCC2)=N1
InChIInChI=1S/C7H10N2O2S/c10-6-5-12-7(8-6)9-1-3-11-4-2-9/h1-5H2
InChIKeyHKPOETYJKCUXBF-UHFFFAOYSA-N
XLogP-0.05
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of 2-morpholin-4-yl-1,3-thiazol-4-one (CID 704317) is 2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for 2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for 2-morpholin-4-yl-1,3-thiazol-4-one is O=C1CSC(N2CCOCC2)=N1.
What is the InChIKey of 2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is HKPOETYJKCUXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c10-6-5-12-7(8-6)9-1-3-11-4-2-9/h1-5H2.
What are the key properties of 2-morpholin-4-yl-1,3-thiazol-4-one?
2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 186.24 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 704317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).