morpholin-4-yl(1,3-thiazol-2-yl)methanone

C8H10N2O2S — CID 91804730

IUPACmorpholin-4-yl(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1CCOCC1
InChIInChI=1S/C8H10N2O2S/c11-8(7-9-1-6-13-7)10-2-4-12-5-3-10/h1,6H,2-5H2
InChIKeyLYJKNJVOASHRJA-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.62
Rot. Bonds1

About morpholin-4-yl(1,3-thiazol-2-yl)methanone

morpholin-4-yl(1,3-thiazol-2-yl)methanone (PubChem CID 91804730) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is morpholin-4-yl(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl(1,3-thiazol-2-yl)methanone
PubChem CID91804730
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Namemorpholin-4-yl(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1CCOCC1
InChIInChI=1S/C8H10N2O2S/c11-8(7-9-1-6-13-7)10-2-4-12-5-3-10/h1,6H,2-5H2
InChIKeyLYJKNJVOASHRJA-UHFFFAOYSA-N
XLogP0.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl(1,3-thiazol-2-yl)methanone?
The IUPAC name of morpholin-4-yl(1,3-thiazol-2-yl)methanone (CID 91804730) is morpholin-4-yl(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for morpholin-4-yl(1,3-thiazol-2-yl)methanone?
The canonical SMILES for morpholin-4-yl(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl(1,3-thiazol-2-yl)methanone?
The InChIKey is LYJKNJVOASHRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-8(7-9-1-6-13-7)10-2-4-12-5-3-10/h1,6H,2-5H2.
What are the key properties of morpholin-4-yl(1,3-thiazol-2-yl)methanone?
morpholin-4-yl(1,3-thiazol-2-yl)methanone has a molecular weight of 198.25 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 91804730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).