morpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone

C8H9N3O4S — CID 154244800

IUPACmorpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone
SMILESO=C(c1ncc([N+](=O)[O-])s1)N1CCOCC1
InChIInChI=1S/C8H9N3O4S/c12-8(10-1-3-15-4-2-10)7-9-5-6(16-7)11(13)14/h5H,1-4H2
InChIKeyFGXWAMTYESAHBE-UHFFFAOYSA-N
MW243.24 g/mol
LogP0.52
Rot. Bonds2

About morpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone

morpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone (PubChem CID 154244800) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is morpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone
PubChem CID154244800
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Namemorpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone
SMILESO=C(c1ncc([N+](=O)[O-])s1)N1CCOCC1
InChIInChI=1S/C8H9N3O4S/c12-8(10-1-3-15-4-2-10)7-9-5-6(16-7)11(13)14/h5H,1-4H2
InChIKeyFGXWAMTYESAHBE-UHFFFAOYSA-N
XLogP0.52
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone?
The IUPAC name of morpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone (CID 154244800) is morpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone?
The canonical SMILES for morpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone is O=C(c1ncc([N+](=O)[O-])s1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone?
The InChIKey is FGXWAMTYESAHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4S/c12-8(10-1-3-15-4-2-10)7-9-5-6(16-7)11(13)14/h5H,1-4H2.
What are the key properties of morpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone?
morpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone has a molecular weight of 243.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(5-nitro-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 154244800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).