1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea

C19H15Cl2N3S — CID 7407265

IUPAC1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea
SMILESC/C(=N\NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C19H15Cl2N3S/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)23-24-19(25)22-18-9-8-16(20)11-17(18)21/h2-11H,1H3,(H2,22,24,25)/b23-12+
InChIKeyUUFCDQIULQQIPQ-FSJBWODESA-N
MW388.32 g/mol
LogP5.86
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea

1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea (PubChem CID 7407265) has the molecular formula C19H15Cl2N3S and a molecular weight of 388.32 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea
PubChem CID7407265
Molecular FormulaC19H15Cl2N3S
Molecular Weight388.32 g/mol
Exact Mass387.04
IUPAC Name1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea
SMILESC/C(=N\NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C19H15Cl2N3S/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)23-24-19(25)22-18-9-8-16(20)11-17(18)21/h2-11H,1H3,(H2,22,24,25)/b23-12+
InChIKeyUUFCDQIULQQIPQ-FSJBWODESA-N
XLogP5.86
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.32
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-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-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea
CID 789157
1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea
CID 135443528
1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 7933948
manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride
CID 10474226
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide
CID 7114974
1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea
CID 4226661
1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3441173
4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
CID 4284364
1-[1-(4-chlorophenyl)ethylideneamino]-3-(2,3-dimethylphenyl)thiourea
CID 3274900
1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
CID 7933632
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589
1-(2,4-dichlorophenyl)-3-methylthiourea
CID 3310564

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea (CID 7407265) is 1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea is C/C(=N\NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea?
The InChIKey is UUFCDQIULQQIPQ-FSJBWODESA-N. The full InChI is InChI=1S/C19H15Cl2N3S/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)23-24-19(25)22-18-9-8-16(20)11-17(18)21/h2-11H,1H3,(H2,22,24,25)/b23-12+.
What are the key properties of 1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea?
1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea has a molecular weight of 388.32 g/mol, XLogP of 5.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea is sourced from PubChem (CID 7407265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).