2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide

C10H7FN3O2S+ — CID 167361655

IUPAC2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide
SMILESO=Nc1c[nH+]c(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C10H6FN3O2S/c11-7-4-2-1-3-6(7)9(15)13-10-12-5-8(14-16)17-10/h1-5H,(H,12,13,15)/p+1
InChIKeyNBCYAIHZEVBOPS-UHFFFAOYSA-O
MW252.25 g/mol
LogP2.35
Rot. Bonds3

About 2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide

2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide (PubChem CID 167361655) has the molecular formula C10H7FN3O2S+ and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide
PubChem CID167361655
Molecular FormulaC10H7FN3O2S+
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide
SMILESO=Nc1c[nH+]c(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C10H6FN3O2S/c11-7-4-2-1-3-6(7)9(15)13-10-12-5-8(14-16)17-10/h1-5H,(H,12,13,15)/p+1
InChIKeyNBCYAIHZEVBOPS-UHFFFAOYSA-O
XLogP2.35
TPSA72.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide (CID 167361655) is 2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide is O=Nc1c[nH+]c(NC(=O)c2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide?
The InChIKey is NBCYAIHZEVBOPS-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H6FN3O2S/c11-7-4-2-1-3-6(7)9(15)13-10-12-5-8(14-16)17-10/h1-5H,(H,12,13,15)/p+1.
What are the key properties of 2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide?
2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide has a molecular weight of 252.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-nitroso-1,3-thiazol-3-ium-2-yl)benzamide is sourced from PubChem (CID 167361655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).