bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea

C10H14BrCuN4S+ — CID 50919901

IUPACbromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
SMILESCC(=NNC(=S)N(C)C)c1ccccn1.[Cu+]Br
InChIInChI=1S/C10H14N4S.BrH.Cu/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3;;/h4-7H,1-3H3,(H,13,15);1H;/q;;+2/p-1
InChIKeyAUEWNZKEFYYMDI-UHFFFAOYSA-M
MW365.77 g/mol
LogP2.08
Rot. Bonds2

About bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea

bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea (PubChem CID 50919901) has the molecular formula C10H14BrCuN4S+ and a molecular weight of 365.77 g/mol. Its IUPAC name is bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea.

Molecular Properties

Compound Namebromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
PubChem CID50919901
Molecular FormulaC10H14BrCuN4S+
Molecular Weight365.77 g/mol
Exact Mass363.94
IUPAC Namebromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
SMILESCC(=NNC(=S)N(C)C)c1ccccn1.[Cu+]Br
InChIInChI=1S/C10H14N4S.BrH.Cu/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3;;/h4-7H,1-3H3,(H,13,15);1H;/q;;+2/p-1
InChIKeyAUEWNZKEFYYMDI-UHFFFAOYSA-M
XLogP2.08
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 52.08
H-Bond Donors ≤ 51
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'}

Analyze bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910226
bis(benzyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate);copper
CID 50911424
bis(benzyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate);zinc
CID 50919422
dichlorocopper;1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910564
copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910440
benzyl N-[(Z)-1-pyridin-2-ylethylideneamino]carbamodithioate;benzyl N-[(E)-1-pyridin-2-ylethylideneamino]carbamodithioate;dimethyltin
CID 20843990
N-(1-pyridin-2-ylethylideneamino)azetidine-1-carbothioamide
CID 3003931
N-[(Z)-1-pyridin-2-ylethylideneamino]azocane-1-carbothioamide
CID 6810515

Frequently Asked Questions

What is the IUPAC name of bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
The IUPAC name of bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea (CID 50919901) is bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea.
What is the SMILES notation for bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
The canonical SMILES for bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea is CC(=NNC(=S)N(C)C)c1ccccn1.[Cu+]Br.
What is the InChIKey of bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
The InChIKey is AUEWNZKEFYYMDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14N4S.BrH.Cu/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3;;/h4-7H,1-3H3,(H,13,15);1H;/q;;+2/p-1.
What are the key properties of bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea has a molecular weight of 365.77 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea is sourced from PubChem (CID 50919901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).