N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide

C14H15FN4OS — CID 63380792

IUPACN-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide
SMILESNc1cc(NC(=O)CCCSc2cnccn2)ccc1F
InChIInChI=1S/C14H15FN4OS/c15-11-4-3-10(8-12(11)16)19-13(20)2-1-7-21-14-9-17-5-6-18-14/h3-6,8-9H,1-2,7,16H2,(H,19,20)
InChIKeyCVGCCPJKYFKQHW-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.71
Rot. Bonds6

About N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide

N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide (PubChem CID 63380792) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide
PubChem CID63380792
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC NameN-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide
SMILESNc1cc(NC(=O)CCCSc2cnccn2)ccc1F
InChIInChI=1S/C14H15FN4OS/c15-11-4-3-10(8-12(11)16)19-13(20)2-1-7-21-14-9-17-5-6-18-14/h3-6,8-9H,1-2,7,16H2,(H,19,20)
InChIKeyCVGCCPJKYFKQHW-UHFFFAOYSA-N
XLogP2.71
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide
CID 63381175
N-(3-amino-4-fluorophenyl)-4-(1,3-thiazol-2-ylsulfanyl)butanamide
CID 61218731
4-pyrazin-2-ylsulfanylbutanehydrazide
CID 63580949
N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide
CID 63381090
N-(3-amino-4-fluorophenyl)-4-(3-methylbutan-2-ylsulfanyl)butanamide
CID 107748717
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide
CID 16790819
N-(3-amino-4-fluorophenyl)-3-propan-2-ylsulfanylpropanamide
CID 60885351
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595
N-(3-amino-4-fluorophenyl)-4-(4-hydroxybutan-2-ylsulfanyl)butanamide
CID 66138076
N-(3-amino-4-fluorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61243362
N-(3-amino-4-fluorophenyl)-4-ethylsulfinylbutanamide
CID 61303441

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide (CID 63380792) is N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide is Nc1cc(NC(=O)CCCSc2cnccn2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide?
The InChIKey is CVGCCPJKYFKQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4OS/c15-11-4-3-10(8-12(11)16)19-13(20)2-1-7-21-14-9-17-5-6-18-14/h3-6,8-9H,1-2,7,16H2,(H,19,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide?
N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide has a molecular weight of 306.37 g/mol, XLogP of 2.71, 6 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)-4-pyrazin-2-ylsulfanylbutanamide is sourced from PubChem (CID 63380792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).