copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea

C10H14CuN4S+2 — CID 50910440

IUPACcopper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
SMILESCCNC(=S)NN=C(C)c1ccccn1.[Cu+2]
InChIInChI=1S/C10H14N4S.Cu/c1-3-11-10(15)14-13-8(2)9-6-4-5-7-12-9;/h4-7H,3H2,1-2H3,(H2,11,14,15);/q;+2
InChIKeyZPYNSTXREJUTFL-UHFFFAOYSA-N
MW285.86 g/mol
LogP1.29
Rot. Bonds3

About copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea

copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea (PubChem CID 50910440) has the molecular formula C10H14CuN4S+2 and a molecular weight of 285.86 g/mol. Its IUPAC name is copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea.

Molecular Properties

Compound Namecopper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
PubChem CID50910440
Molecular FormulaC10H14CuN4S+2
Molecular Weight285.86 g/mol
Exact Mass285.02
IUPAC Namecopper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
SMILESCCNC(=S)NN=C(C)c1ccccn1.[Cu+2]
InChIInChI=1S/C10H14N4S.Cu/c1-3-11-10(15)14-13-8(2)9-6-4-5-7-12-9;/h4-7H,3H2,1-2H3,(H2,11,14,15);/q;+2
InChIKeyZPYNSTXREJUTFL-UHFFFAOYSA-N
XLogP1.29
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
1-(2-phenylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3351585
1-butyl-3-(1-pyridin-2-ylethylideneamino)thiourea;dichlorocopper
CID 3005753
1-[2-(diethylamino)ethyl]-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea;dihydrobromide
CID 12799010
1-ethyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 6509755
1-(1-phenylethylideneamino)-3-[4-[(1-pyridin-2-ylethylideneamino)carbamothioylamino]butyl]thiourea
CID 3005018
1-butan-2-yl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea
CID 5468466
1-ethyl-3-[[2-(ethylcarbamothioylhydrazinylidene)-1-phenyl-2-pyridin-2-ylethylidene]amino]thiourea
CID 161470445
1-(4-ethylphenyl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
CID 5367269
(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
1-(dipyridin-2-ylmethylideneamino)-3-ethylthiourea;1-(dipyridin-2-ylmethylideneamino)-3-prop-2-enylthiourea
CID 158902035
1-[(E)-[(4-bromophenyl)-pyridin-2-ylmethylidene]amino]-3-ethylthiourea
CID 54757237

Frequently Asked Questions

What is the IUPAC name of copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
The IUPAC name of copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea (CID 50910440) is copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea.
What is the SMILES notation for copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
The canonical SMILES for copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea is CCNC(=S)NN=C(C)c1ccccn1.[Cu+2].
What is the InChIKey of copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
The InChIKey is ZPYNSTXREJUTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S.Cu/c1-3-11-10(15)14-13-8(2)9-6-4-5-7-12-9;/h4-7H,3H2,1-2H3,(H2,11,14,15);/q;+2.
What are the key properties of copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea has a molecular weight of 285.86 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea is sourced from PubChem (CID 50910440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).