N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C10H7FN4O3S2 — CID 4781027

IUPACN-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H7FN4O3S2/c11-6-1-2-8(15(17)18)7(3-6)13-9(16)4-19-10-14-12-5-20-10/h1-3,5H,4H2,(H,13,16)
InChIKeyNDBCQWYKBXAKGO-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.32
Rot. Bonds5

About N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 4781027) has the molecular formula C10H7FN4O3S2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID4781027
Molecular FormulaC10H7FN4O3S2
Molecular Weight314.32 g/mol
Exact Mass313.99
IUPAC NameN-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H7FN4O3S2/c11-6-1-2-8(15(17)18)7(3-6)13-9(16)4-19-10-14-12-5-20-10/h1-3,5H,4H2,(H,13,16)
InChIKeyNDBCQWYKBXAKGO-UHFFFAOYSA-N
XLogP2.32
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.32
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-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 7474559
N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide
CID 78914527
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-nitrophenyl)acetamide
CID 7760130
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 4224169
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 42970950
N-(2-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532400
N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2507663
N-(5-fluoro-2-nitrophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627881
ethyl 3-(5-fluoro-2-nitroanilino)-3-oxopropanoate
CID 58328051
N-(2-chloro-3-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2471414
N-(3,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532387
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 35987370

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 4781027) is N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is O=C(CSc1nncs1)Nc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is NDBCQWYKBXAKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O3S2/c11-6-1-2-8(15(17)18)7(3-6)13-9(16)4-19-10-14-12-5-20-10/h1-3,5H,4H2,(H,13,16).
What are the key properties of N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 314.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 4781027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).