2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H11FN4O4S2 — CID 7386908

IUPAC2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)no1
InChIInChI=1S/C13H11FN4O4S2/c1-7-4-11(17-22-7)16-12(19)6-23-13-15-9-3-2-8(14)5-10(9)24(20,21)18-13/h2-5H,6H2,1H3,(H,15,18)(H,16,17,19)
InChIKeySGLWNQCYOKDMMU-UHFFFAOYSA-N
MW370.39 g/mol
LogP1.96
Rot. Bonds3

About 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 7386908) has the molecular formula C13H11FN4O4S2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID7386908
Molecular FormulaC13H11FN4O4S2
Molecular Weight370.39 g/mol
Exact Mass370.02
IUPAC Name2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)no1
InChIInChI=1S/C13H11FN4O4S2/c1-7-4-11(17-22-7)16-12(19)6-23-13-15-9-3-2-8(14)5-10(9)24(20,21)18-13/h2-5H,6H2,1H3,(H,15,18)(H,16,17,19)
InChIKeySGLWNQCYOKDMMU-UHFFFAOYSA-N
XLogP1.96
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 7386908) is 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)no1.
What is the InChIKey of 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is SGLWNQCYOKDMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O4S2/c1-7-4-11(17-22-7)16-12(19)6-23-13-15-9-3-2-8(14)5-10(9)24(20,21)18-13/h2-5H,6H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 370.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 7386908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).