N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine

C9H8FN3O2S — CID 171984815

IUPACN-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine
SMILESCOC1=NS(=O)N=C1Nc1cccc(F)c1
InChIInChI=1S/C9H8FN3O2S/c1-15-9-8(12-16(14)13-9)11-7-4-2-3-6(10)5-7/h2-5H,1H3,(H,11,12)
InChIKeyKOTZHZZOMYYXDC-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.27
Rot. Bonds1

About N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine

N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine (PubChem CID 171984815) has the molecular formula C9H8FN3O2S and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine
PubChem CID171984815
Molecular FormulaC9H8FN3O2S
Molecular Weight241.25 g/mol
Exact Mass241.03
IUPAC NameN-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine
SMILESCOC1=NS(=O)N=C1Nc1cccc(F)c1
InChIInChI=1S/C9H8FN3O2S/c1-15-9-8(12-16(14)13-9)11-7-4-2-3-6(10)5-7/h2-5H,1H3,(H,11,12)
InChIKeyKOTZHZZOMYYXDC-UHFFFAOYSA-N
XLogP1.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine (CID 171984815) is N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine is COC1=NS(=O)N=C1Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine?
The InChIKey is KOTZHZZOMYYXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2S/c1-15-9-8(12-16(14)13-9)11-7-4-2-3-6(10)5-7/h2-5H,1H3,(H,11,12).
What are the key properties of N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine?
N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine has a molecular weight of 241.25 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 171984815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).