1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea

C18H21N3O2S — CID 110508571

IUPAC1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea
SMILESCCOc1ccc(/C=N/NC(=S)Nc2ccccc2)c(OCC)c1
InChIInChI=1S/C18H21N3O2S/c1-3-22-16-11-10-14(17(12-16)23-4-2)13-19-21-18(24)20-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3,(H2,20,21,24)/b19-13+
InChIKeyCITKFKYFWWKWAI-CPNJWEJPSA-N
MW343.45 g/mol
LogP3.80
Rot. Bonds7

About 1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea

1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea (PubChem CID 110508571) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea
PubChem CID110508571
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea
SMILESCCOc1ccc(/C=N/NC(=S)Nc2ccccc2)c(OCC)c1
InChIInChI=1S/C18H21N3O2S/c1-3-22-16-11-10-14(17(12-16)23-4-2)13-19-21-18(24)20-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3,(H2,20,21,24)/b19-13+
InChIKeyCITKFKYFWWKWAI-CPNJWEJPSA-N
XLogP3.80
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.80
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'}

Analyze 1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-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

1-(4-ethoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 6903251
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 19060943
[4-bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 3300833
(2R)-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126272234
[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 5165136
1-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-3-phenylthiourea
CID 110508576
1-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 135731060
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509275
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
1-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3568112
1-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 5332459
2-bromo-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 29146958

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea?
The IUPAC name of 1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea (CID 110508571) is 1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea.
What is the SMILES notation for 1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea?
The canonical SMILES for 1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea is CCOc1ccc(/C=N/NC(=S)Nc2ccccc2)c(OCC)c1.
What is the InChIKey of 1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea?
The InChIKey is CITKFKYFWWKWAI-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-22-16-11-10-14(17(12-16)23-4-2)13-19-21-18(24)20-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3,(H2,20,21,24)/b19-13+.
What are the key properties of 1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea?
1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea has a molecular weight of 343.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea is sourced from PubChem (CID 110508571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).