N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide

C13H15FN4OS — CID 62409558

IUPACN-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cc(N)ccc2F)n(C)n1
InChIInChI=1S/C13H15FN4OS/c1-8-5-13(18(2)17-8)20-7-12(19)16-11-6-9(15)3-4-10(11)14/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyDKNBNEVFQQCXOE-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.18
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide

N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide (PubChem CID 62409558) has the molecular formula C13H15FN4OS and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
PubChem CID62409558
Molecular FormulaC13H15FN4OS
Molecular Weight294.36 g/mol
Exact Mass294.10
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cc(N)ccc2F)n(C)n1
InChIInChI=1S/C13H15FN4OS/c1-8-5-13(18(2)17-8)20-7-12(19)16-11-6-9(15)3-4-10(11)14/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyDKNBNEVFQQCXOE-UHFFFAOYSA-N
XLogP2.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.18
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-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62410099
N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62408208
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 104602938
N-(5-amino-2-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 61219878
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522
1-(2,5-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylethanone
CID 62410882
N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 62408592
N-(5-amino-2-fluorophenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62128370
N-(5-amino-2-fluorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62255600
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-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide (CID 62409558) is N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2cc(N)ccc2F)n(C)n1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide?
The InChIKey is DKNBNEVFQQCXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS/c1-8-5-13(18(2)17-8)20-7-12(19)16-11-6-9(15)3-4-10(11)14/h3-6H,7,15H2,1-2H3,(H,16,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide?
N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide has a molecular weight of 294.36 g/mol, XLogP of 2.18, 4 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)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide is sourced from PubChem (CID 62409558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).