1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea

C15H13Cl2N3OS — CID 3800783

IUPAC1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea
SMILESS=C(N=CNOCc1c(Cl)cccc1Cl)Nc1ccccc1
InChIInChI=1S/C15H13Cl2N3OS/c16-13-7-4-8-14(17)12(13)9-21-19-10-18-15(22)20-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,18,19,20,22)
InChIKeyRVSNQZBPMNVSNH-UHFFFAOYSA-N
MW354.26 g/mol
LogP4.44
Rot. Bonds5

About 1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea

1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea (PubChem CID 3800783) has the molecular formula C15H13Cl2N3OS and a molecular weight of 354.26 g/mol. Its IUPAC name is 1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea.

Molecular Properties

Compound Name1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea
PubChem CID3800783
Molecular FormulaC15H13Cl2N3OS
Molecular Weight354.26 g/mol
Exact Mass353.02
IUPAC Name1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea
SMILESS=C(N=CNOCc1c(Cl)cccc1Cl)Nc1ccccc1
InChIInChI=1S/C15H13Cl2N3OS/c16-13-7-4-8-14(17)12(13)9-21-19-10-18-15(22)20-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,18,19,20,22)
InChIKeyRVSNQZBPMNVSNH-UHFFFAOYSA-N
XLogP4.44
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea 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

O-[(2,6-dichlorophenyl)methyl] N-phenylcarbamothioate
CID 44560166
N-({[(2,4-dichlorobenzyl)oxy]imino}methyl)-N'-(4-fluorophenyl)thiourea
CID 9581758
1-[[(2,4-Dichlorophenyl)methoxyamino]methylidene]-3-(4-fluorophenyl)thiourea
CID 2766540
3-(4-bromo-2-fluorophenyl)-1-[(1Z)-{[(2,4-dichlorophenyl)methoxy]imino}methyl]thiourea
CID 2766542
(1Z)-1-[[(2,4-dichlorophenyl)methoxyamino]methylidene]-3-(4-fluorophenyl)thiourea
CID 5707396
1-(3-Chloro-4-fluorophenyl)-3-phenylmethoxythiourea
CID 8724762
N-(4-bromo-2-fluorophenyl)-N'-({[(2,4-dichlorobenzyl)oxy]imino}methyl)thiourea
CID 9581760
N-({[(2,4-dichlorobenzyl)oxy]imino}methyl)-N'-phenylthiourea
CID 9604994
N-({[(2,6-dichlorobenzyl)oxy]imino}methyl)-N'-phenylthiourea
CID 9604996
1-(2-Aminoethyl)-3-(2,6-dichlorophenyl)-1-phenylmethoxythiourea
CID 20401402
3-(3,5-dichlorophenyl)-1-[(1Z)-{[(2,4-dichlorophenyl)methoxy]imino}methyl]thiourea
CID 2766523
1-[[(2,4-Dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea
CID 3385207

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea?
The IUPAC name of 1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea (CID 3800783) is 1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea.
What is the SMILES notation for 1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea?
The canonical SMILES for 1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea is S=C(N=CNOCc1c(Cl)cccc1Cl)Nc1ccccc1.
What is the InChIKey of 1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea?
The InChIKey is RVSNQZBPMNVSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3OS/c16-13-7-4-8-14(17)12(13)9-21-19-10-18-15(22)20-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,18,19,20,22).
What are the key properties of 1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea?
1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea has a molecular weight of 354.26 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,6-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea is sourced from PubChem (CID 3800783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).