2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide

C22H18N6OS2 — CID 143568436

IUPAC2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide
SMILESN#Cc1c(-c2cccs2)cc(-c2cccs2)nc1OC(/C(N)=N/NN)c1ccccc1
InChIInChI=1S/C22H18N6OS2/c23-13-16-15(18-8-4-10-30-18)12-17(19-9-5-11-31-19)26-22(16)29-20(21(24)27-28-25)14-6-2-1-3-7-14/h1-12,20,28H,25H2,(H2,24,27)
InChIKeyUTUJDUJGLWVQTI-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.27
Rot. Bonds7

About 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide

2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide (PubChem CID 143568436) has the molecular formula C22H18N6OS2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide
PubChem CID143568436
Molecular FormulaC22H18N6OS2
Molecular Weight446.56 g/mol
Exact Mass446.10
IUPAC Name2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide
SMILESN#Cc1c(-c2cccs2)cc(-c2cccs2)nc1OC(/C(N)=N/NN)c1ccccc1
InChIInChI=1S/C22H18N6OS2/c23-13-16-15(18-8-4-10-30-18)12-17(19-9-5-11-31-19)26-22(16)29-20(21(24)27-28-25)14-6-2-1-3-7-14/h1-12,20,28H,25H2,(H2,24,27)
InChIKeyUTUJDUJGLWVQTI-UHFFFAOYSA-N
XLogP4.27
TPSA122.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 143568553
N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide
CID 143568425
2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid
CID 71157282
prop-2-enyl 2-[[4-[5-(4-bromophenyl)furan-2-yl]-3-cyano-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate
CID 143568593
prop-2-enyl 2-[(3-cyano-4-propan-2-yl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 89320059
2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 143568515
2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid
CID 71157126
4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 14950544
2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide
CID 71159727
2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 2962037
2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide
CID 123877346
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 893739

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide?
The IUPAC name of 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide (CID 143568436) is 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide?
The canonical SMILES for 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide is N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1OC(/C(N)=N/NN)c1ccccc1.
What is the InChIKey of 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide?
The InChIKey is UTUJDUJGLWVQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6OS2/c23-13-16-15(18-8-4-10-30-18)12-17(19-9-5-11-31-19)26-22(16)29-20(21(24)27-28-25)14-6-2-1-3-7-14/h1-12,20,28H,25H2,(H2,24,27).
What are the key properties of 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide?
2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide has a molecular weight of 446.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide is sourced from PubChem (CID 143568436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).