N-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide

C9H7FN4OS — CID 62058615

IUPACN-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESNc1cc(NC(=O)c2cnsn2)ccc1F
InChIInChI=1S/C9H7FN4OS/c10-6-2-1-5(3-7(6)11)13-9(15)8-4-12-16-14-8/h1-4H,11H2,(H,13,15)
InChIKeyLQYLHKZVZFXDGZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.51
Rot. Bonds2

About N-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide

N-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 62058615) has the molecular formula C9H7FN4OS and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID62058615
Molecular FormulaC9H7FN4OS
Molecular Weight238.25 g/mol
Exact Mass238.03
IUPAC NameN-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESNc1cc(NC(=O)c2cnsn2)ccc1F
InChIInChI=1S/C9H7FN4OS/c10-6-2-1-5(3-7(6)11)13-9(15)8-4-12-16-14-8/h1-4H,11H2,(H,13,15)
InChIKeyLQYLHKZVZFXDGZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 43600094
N-(3-amino-4-fluorophenyl)-4-bromobenzamide
CID 16777540
N-[3-(6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl)-4-fluorophenyl]-1,2,5-thiadiazole-3-carboxamide
CID 123827943
N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide
CID 87032400
(3-amino-4-fluorophenyl)urea
CID 16776521
N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18072743
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776839
N-(3-amino-4-fluorophenyl)-4-nitrobenzamide
CID 63257606
N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624
N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
CID 16777839

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide (CID 62058615) is N-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide is Nc1cc(NC(=O)c2cnsn2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is LQYLHKZVZFXDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4OS/c10-6-2-1-5(3-7(6)11)13-9(15)8-4-12-16-14-8/h1-4H,11H2,(H,13,15).
What are the key properties of N-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
N-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide 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-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 62058615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).