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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Related Compounds

N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 10753
4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole
CID 23996777
2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine
CID 13327587
5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine
CID 12007693
lithium 4-[[4-methyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoate
CID 155823011
1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole
CID 14469464
N-ethyl-3-(5-nitrofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 56680160
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide
CID 56615074
N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 170913490
2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole
CID 138754238
5-methyl-2-(5-nitrofuran-2-yl)-1,3-oxazole-4-carboxylic acid
CID 62235043

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).