N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide

C12H10Cl2N4OS — CID 63380982

IUPACN-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide
SMILESNc1cc(Cl)c(NC(=O)CSc2cnccn2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N4OS/c13-8-3-7(15)4-9(14)12(8)18-10(19)6-20-11-5-16-1-2-17-11/h1-5H,6,15H2,(H,18,19)
InChIKeyBEENNTAHBVOBCQ-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.10
Rot. Bonds4

About N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide

N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide (PubChem CID 63380982) has the molecular formula C12H10Cl2N4OS and a molecular weight of 329.21 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide
PubChem CID63380982
Molecular FormulaC12H10Cl2N4OS
Molecular Weight329.21 g/mol
Exact Mass328.00
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide
SMILESNc1cc(Cl)c(NC(=O)CSc2cnccn2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N4OS/c13-8-3-7(15)4-9(14)12(8)18-10(19)6-20-11-5-16-1-2-17-11/h1-5H,6,15H2,(H,18,19)
InChIKeyBEENNTAHBVOBCQ-UHFFFAOYSA-N
XLogP3.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.10
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-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide
CID 16770775
N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide
CID 63381090
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 112770677
N-(4-amino-2,6-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 61346085
1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone
CID 55249483
N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide
CID 106921925
N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide
CID 79215620
N-(4-amino-2,6-dichlorophenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
CID 61384728
4-pyrazin-2-ylsulfanylbutanehydrazide
CID 63580949
N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide
CID 63381175
N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide
CID 60884915

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide (CID 63380982) is N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide is Nc1cc(Cl)c(NC(=O)CSc2cnccn2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide?
The InChIKey is BEENNTAHBVOBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4OS/c13-8-3-7(15)4-9(14)12(8)18-10(19)6-20-11-5-16-1-2-17-11/h1-5H,6,15H2,(H,18,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide?
N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide has a molecular weight of 329.21 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide is sourced from PubChem (CID 63380982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).