copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate

C25H32CuN6OS2 — CID 159717011

IUPACcopper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate
SMILESCCN(CC)C([S-])=NN=C(C(=NN=C([S-])N(CC)CC)c1ccc(OC)cc1)c1ccccc1.[Cu+2]
InChIInChI=1S/C25H34N6OS2.Cu/c1-6-30(7-2)24(33)28-26-22(19-13-11-10-12-14-19)23(20-15-17-21(32-5)18-16-20)27-29-25(34)31(8-3)9-4;/h10-18H,6-9H2,1-5H3,(H,28,33)(H,29,34);/q;+2/p-2
InChIKeyMZOGCKAHPBHHSZ-UHFFFAOYSA-L
MW560.25 g/mol
LogP4.29
Rot. Bonds10

About copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate

copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate (PubChem CID 159717011) has the molecular formula C25H32CuN6OS2 and a molecular weight of 560.25 g/mol. Its IUPAC name is copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate.

Molecular Properties

Compound Namecopper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate
PubChem CID159717011
Molecular FormulaC25H32CuN6OS2
Molecular Weight560.25 g/mol
Exact Mass559.14
IUPAC Namecopper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate
SMILESCCN(CC)C([S-])=NN=C(C(=NN=C([S-])N(CC)CC)c1ccc(OC)cc1)c1ccccc1.[Cu+2]
InChIInChI=1S/C25H34N6OS2.Cu/c1-6-30(7-2)24(33)28-26-22(19-13-11-10-12-14-19)23(20-15-17-21(32-5)18-16-20)27-29-25(34)31(8-3)9-4;/h10-18H,6-9H2,1-5H3,(H,28,33)(H,29,34);/q;+2/p-2
InChIKeyMZOGCKAHPBHHSZ-UHFFFAOYSA-L
XLogP4.29
TPSA65.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.25
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-phenyl-2-(4-sulfanylphenyl)ethylidene]amino]-N,N-diethylcarbamimidothioate
CID 158842399
copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate
CID 142539327
copper N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(dimethylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate
CID 158862607
3-[[2-(diethylcarbamothioylhydrazinylidene)-1-(4-ethoxyphenyl)-2-phenylethylidene]amino]-1,1-diethylthiourea
CID 147427246
N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 6181573
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate
CID 162236036
N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 12768666
N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline
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1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
N-ethyl-5-(4-methoxyphenyl)-5-oxo-N-phenylpentanamide
CID 110298239
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198

Frequently Asked Questions

What is the IUPAC name of copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate?
The IUPAC name of copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate (CID 159717011) is copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate.
What is the SMILES notation for copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate?
The canonical SMILES for copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate is CCN(CC)C([S-])=NN=C(C(=NN=C([S-])N(CC)CC)c1ccc(OC)cc1)c1ccccc1.[Cu+2].
What is the InChIKey of copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate?
The InChIKey is MZOGCKAHPBHHSZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H34N6OS2.Cu/c1-6-30(7-2)24(33)28-26-22(19-13-11-10-12-14-19)23(20-15-17-21(32-5)18-16-20)27-29-25(34)31(8-3)9-4;/h10-18H,6-9H2,1-5H3,(H,28,33)(H,29,34);/q;+2/p-2.
What are the key properties of copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate?
copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate has a molecular weight of 560.25 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate is sourced from PubChem (CID 159717011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).