N-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide

C12H13N3OS — CID 143960317

IUPACN-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide
SMILESO=C(CS)NC1=NNC(c2ccccc2)=CC1
InChIInChI=1S/C12H13N3OS/c16-12(8-17)13-11-7-6-10(14-15-11)9-4-2-1-3-5-9/h1-6,14,17H,7-8H2,(H,13,15,16)
InChIKeySIOMVJFKMFJCDO-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.38
Rot. Bonds2

About N-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide

N-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide (PubChem CID 143960317) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide
PubChem CID143960317
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide
SMILESO=C(CS)NC1=NNC(c2ccccc2)=CC1
InChIInChI=1S/C12H13N3OS/c16-12(8-17)13-11-7-6-10(14-15-11)9-4-2-1-3-5-9/h1-6,14,17H,7-8H2,(H,13,15,16)
InChIKeySIOMVJFKMFJCDO-UHFFFAOYSA-N
XLogP1.38
TPSA53.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

gold;N-phenyl-2-sulfanylacetamide
CID 138394114
5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
CID 87897926
N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3295262
N-(3-anilinophenyl)-2-sulfanylacetamide
CID 164884048
N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide
CID 4144149
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 4206556
2-[(2-sulfanylacetyl)amino]benzoate
CID 59656799
N-(2,6-dichlorophenyl)-2-sulfanylacetamide
CID 14567957
2-methylidene-5-phenyl-1,3-dihydropyrrole
CID 72537888
N-[3-[bis(2-methylpropyl)amino]propyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3495110
2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
CID 5060365
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093

Frequently Asked Questions

What is the IUPAC name of N-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide?
The IUPAC name of N-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide (CID 143960317) is N-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide is O=C(CS)NC1=NNC(c2ccccc2)=CC1.
What is the InChIKey of N-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide?
The InChIKey is SIOMVJFKMFJCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c16-12(8-17)13-11-7-6-10(14-15-11)9-4-2-1-3-5-9/h1-6,14,17H,7-8H2,(H,13,15,16).
What are the key properties of N-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide?
N-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide has a molecular weight of 247.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenyl-1,4-dihydropyridazin-3-yl)-2-sulfanylacetamide is sourced from PubChem (CID 143960317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).