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

C9H7FN4OS — CID 43600094

IUPACN-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESNc1ccc(F)c(NC(=O)c2cnsn2)c1
InChIInChI=1S/C9H7FN4OS/c10-6-2-1-5(11)3-7(6)13-9(15)8-4-12-16-14-8/h1-4H,11H2,(H,13,15)
InChIKeySWRMQWUHWMWFLW-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.51
Rot. Bonds2

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

N-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 43600094) has the molecular formula C9H7FN4OS and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID43600094
Molecular FormulaC9H7FN4OS
Molecular Weight238.25 g/mol
Exact Mass238.03
IUPAC NameN-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESNc1ccc(F)c(NC(=O)c2cnsn2)c1
InChIInChI=1S/C9H7FN4OS/c10-6-2-1-5(11)3-7(6)13-9(15)8-4-12-16-14-8/h1-4H,11H2,(H,13,15)
InChIKeySWRMQWUHWMWFLW-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-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 62058615
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
CID 103805312
N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
CID 18072371
N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114818556
N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335719
N-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18071701
N-(5-amino-2-fluorophenyl)-2-pyridin-4-ylacetamide
CID 16787056
N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 114038625
N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide
CID 105062950
N-(5-amino-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 16789035
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide (CID 43600094) is N-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide is Nc1ccc(F)c(NC(=O)c2cnsn2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is SWRMQWUHWMWFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4OS/c10-6-2-1-5(11)3-7(6)13-9(15)8-4-12-16-14-8/h1-4H,11H2,(H,13,15).
What are the key properties of N-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
N-(5-amino-2-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-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 43600094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).