N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C11H12FN5OS — CID 104602938

IUPACN-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1ncnc1SCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C11H12FN5OS/c1-17-11(14-6-15-17)19-5-10(18)16-9-4-7(13)2-3-8(9)12/h2-4,6H,5,13H2,1H3,(H,16,18)
InChIKeyZMTLHZILSZFNTD-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.27
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 104602938) has the molecular formula C11H12FN5OS and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID104602938
Molecular FormulaC11H12FN5OS
Molecular Weight281.32 g/mol
Exact Mass281.07
IUPAC NameN-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1ncnc1SCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C11H12FN5OS/c1-17-11(14-6-15-17)19-5-10(18)16-9-4-7(13)2-3-8(9)12/h2-4,6H,5,13H2,1H3,(H,16,18)
InChIKeyZMTLHZILSZFNTD-UHFFFAOYSA-N
XLogP1.27
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 104602878
N-(2-amino-4-methylphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 104602942
N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62409558
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 104604202
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
N-(5-amino-2-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 61219878
N-(2,3-dimethylphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 86790583
N-(2-amino-4-chlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 104602993
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522
N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16785328
N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
CID 16784484
N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66116080

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 104602938) is N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1ncnc1SCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ZMTLHZILSZFNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5OS/c1-17-11(14-6-15-17)19-5-10(18)16-9-4-7(13)2-3-8(9)12/h2-4,6H,5,13H2,1H3,(H,16,18).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 104602938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).