copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea

C16H19CuN5S+2 — CID 50910226

IUPACcopper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
SMILESCC(=NNC(=S)N(C)CCc1ccccn1)c1ccccn1.[Cu+2]
InChIInChI=1S/C16H19N5S.Cu/c1-13(15-8-4-6-11-18-15)19-20-16(22)21(2)12-9-14-7-3-5-10-17-14;/h3-8,10-11H,9,12H2,1-2H3,(H,20,22);/q;+2
InChIKeyHOZASYGFDMSJFO-UHFFFAOYSA-N
MW376.98 g/mol
LogP2.25
Rot. Bonds5

About copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea

copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea (PubChem CID 50910226) has the molecular formula C16H19CuN5S+2 and a molecular weight of 376.98 g/mol. Its IUPAC name is copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea.

Molecular Properties

Compound Namecopper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
PubChem CID50910226
Molecular FormulaC16H19CuN5S+2
Molecular Weight376.98 g/mol
Exact Mass376.06
IUPAC Namecopper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
SMILESCC(=NNC(=S)N(C)CCc1ccccn1)c1ccccn1.[Cu+2]
InChIInChI=1S/C16H19N5S.Cu/c1-13(15-8-4-6-11-18-15)19-20-16(22)21(2)12-9-14-7-3-5-10-17-14;/h3-8,10-11H,9,12H2,1-2H3,(H,20,22);/q;+2
InChIKeyHOZASYGFDMSJFO-UHFFFAOYSA-N
XLogP2.25
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.98
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

dichlorocopper;1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910564
1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea
CID 5481307
bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50919901
1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea
CID 58752142
(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
methyl(2-pyridin-2-ylethyl)carbamodithioic acid
CID 88510653
copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910440
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158

Frequently Asked Questions

What is the IUPAC name of copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea?
The IUPAC name of copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea (CID 50910226) is copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea.
What is the SMILES notation for copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea?
The canonical SMILES for copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea is CC(=NNC(=S)N(C)CCc1ccccn1)c1ccccn1.[Cu+2].
What is the InChIKey of copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea?
The InChIKey is HOZASYGFDMSJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S.Cu/c1-13(15-8-4-6-11-18-15)19-20-16(22)21(2)12-9-14-7-3-5-10-17-14;/h3-8,10-11H,9,12H2,1-2H3,(H,20,22);/q;+2.
What are the key properties of copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea?
copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea has a molecular weight of 376.98 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea is sourced from PubChem (CID 50910226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).