N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide

C9H7FN4OS — CID 3717918

IUPACN-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide
SMILESNc1nc(NC(=O)c2ccc(F)cc2)ns1
InChIInChI=1S/C9H7FN4OS/c10-6-3-1-5(2-4-6)7(15)12-9-13-8(11)16-14-9/h1-4H,(H3,11,12,13,14,15)
InChIKeyBXTDJIGYSAOKEH-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.51
Rot. Bonds2

About N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide

N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide (PubChem CID 3717918) has the molecular formula C9H7FN4OS and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide
PubChem CID3717918
Molecular FormulaC9H7FN4OS
Molecular Weight238.25 g/mol
Exact Mass238.03
IUPAC NameN-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide
SMILESNc1nc(NC(=O)c2ccc(F)cc2)ns1
InChIInChI=1S/C9H7FN4OS/c10-6-3-1-5(2-4-6)7(15)12-9-13-8(11)16-14-9/h1-4H,(H3,11,12,13,14,15)
InChIKeyBXTDJIGYSAOKEH-UHFFFAOYSA-N
XLogP1.51
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide?
The IUPAC name of N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide (CID 3717918) is N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide?
The canonical SMILES for N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide is Nc1nc(NC(=O)c2ccc(F)cc2)ns1.
What is the InChIKey of N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide?
The InChIKey is BXTDJIGYSAOKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4OS/c10-6-3-1-5(2-4-6)7(15)12-9-13-8(11)16-14-9/h1-4H,(H3,11,12,13,14,15).
What are the key properties of N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide?
N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide has a molecular weight of 238.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 3717918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).