2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one

C9H7N3O4S — CID 23274614

IUPAC2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one
SMILESCNc1nc(=O)cc(-c2ccc([N+](=O)[O-])o2)s1
InChIInChI=1S/C9H7N3O4S/c1-10-9-11-7(13)4-6(17-9)5-2-3-8(16-5)12(14)15/h2-4H,1H3,(H,10,11,13)
InChIKeyYAHALRCWWLXOIL-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.71
Rot. Bonds3

About 2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one

2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one (PubChem CID 23274614) has the molecular formula C9H7N3O4S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one.

Molecular Properties

Compound Name2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one
PubChem CID23274614
Molecular FormulaC9H7N3O4S
Molecular Weight253.24 g/mol
Exact Mass253.02
IUPAC Name2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one
SMILESCNc1nc(=O)cc(-c2ccc([N+](=O)[O-])o2)s1
InChIInChI=1S/C9H7N3O4S/c1-10-9-11-7(13)4-6(17-9)5-2-3-8(16-5)12(14)15/h2-4H,1H3,(H,10,11,13)
InChIKeyYAHALRCWWLXOIL-UHFFFAOYSA-N
XLogP1.71
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one?
The IUPAC name of 2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one (CID 23274614) is 2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one.
What is the SMILES notation for 2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one?
The canonical SMILES for 2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one is CNc1nc(=O)cc(-c2ccc([N+](=O)[O-])o2)s1.
What is the InChIKey of 2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one?
The InChIKey is YAHALRCWWLXOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4S/c1-10-9-11-7(13)4-6(17-9)5-2-3-8(16-5)12(14)15/h2-4H,1H3,(H,10,11,13).
What are the key properties of 2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one?
2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one has a molecular weight of 253.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one is sourced from PubChem (CID 23274614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).