dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea

C14H14Cl2CuN4OS — CID 3005720

IUPACdichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea
SMILESCOc1ccccc1NC(=S)NN=Cc1ccccn1.Cl[Cu]Cl
InChIInChI=1S/C14H14N4OS.2ClH.Cu/c1-19-13-8-3-2-7-12(13)17-14(20)18-16-10-11-6-4-5-9-15-11;;;/h2-10H,1H3,(H2,17,18,20);2*1H;/q;;;+2/p-2
InChIKeyMPMDWEIQPNNAIB-UHFFFAOYSA-L
MW420.81 g/mol
LogP3.79
Rot. Bonds4

About dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea

dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea (PubChem CID 3005720) has the molecular formula C14H14Cl2CuN4OS and a molecular weight of 420.81 g/mol. Its IUPAC name is dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea.

Molecular Properties

Compound Namedichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea
PubChem CID3005720
Molecular FormulaC14H14Cl2CuN4OS
Molecular Weight420.81 g/mol
Exact Mass418.96
IUPAC Namedichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea
SMILESCOc1ccccc1NC(=S)NN=Cc1ccccn1.Cl[Cu]Cl
InChIInChI=1S/C14H14N4OS.2ClH.Cu/c1-19-13-8-3-2-7-12(13)17-14(20)18-16-10-11-6-4-5-9-15-11;;;/h2-10H,1H3,(H2,17,18,20);2*1H;/q;;;+2/p-2
InChIKeyMPMDWEIQPNNAIB-UHFFFAOYSA-L
XLogP3.79
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.81
LogP ≤ 53.79
H-Bond Donors ≤ 52
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

1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 2404947
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3430599
1-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6903336
1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))
CID 10436322
1-(2-methoxyphenyl)-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 6906457
1-[(2,6-difluorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3942663
1-butyl-3-(pyridin-2-ylmethylideneamino)thiourea;dichlorocopper
CID 3005763
1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 57398965
1-(4-hydroxyphenyl)-3-[(E)-pyridin-2-ylmethylideneamino]thiourea
CID 177447098
1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3927035
1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 75596656
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6046280

Frequently Asked Questions

What is the IUPAC name of dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea?
The IUPAC name of dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea (CID 3005720) is dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea.
What is the SMILES notation for dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea?
The canonical SMILES for dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea is COc1ccccc1NC(=S)NN=Cc1ccccn1.Cl[Cu]Cl.
What is the InChIKey of dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea?
The InChIKey is MPMDWEIQPNNAIB-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H14N4OS.2ClH.Cu/c1-19-13-8-3-2-7-12(13)17-14(20)18-16-10-11-6-4-5-9-15-11;;;/h2-10H,1H3,(H2,17,18,20);2*1H;/q;;;+2/p-2.
What are the key properties of dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea?
dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea has a molecular weight of 420.81 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea is sourced from PubChem (CID 3005720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).