1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea

C17H19N3O2S — CID 3927035

IUPAC1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
SMILESCCOc1ccc(C=NNC(=S)Nc2ccccc2OC)cc1
InChIInChI=1S/C17H19N3O2S/c1-3-22-14-10-8-13(9-11-14)12-18-20-17(23)19-15-6-4-5-7-16(15)21-2/h4-12H,3H2,1-2H3,(H2,19,20,23)
InChIKeyOLSUVXRJXZCSLS-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.41
Rot. Bonds6

About 1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea

1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea (PubChem CID 3927035) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
PubChem CID3927035
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
SMILESCCOc1ccc(C=NNC(=S)Nc2ccccc2OC)cc1
InChIInChI=1S/C17H19N3O2S/c1-3-22-14-10-8-13(9-11-14)12-18-20-17(23)19-15-6-4-5-7-16(15)21-2/h4-12H,3H2,1-2H3,(H2,19,20,23)
InChIKeyOLSUVXRJXZCSLS-UHFFFAOYSA-N
XLogP3.41
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.41
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-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)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

N-(2-methoxyphenyl)-2-[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 38052244
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5401700
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 759194
1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea
CID 46372813
1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 2404947
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3430599
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6046280
1-(2-methoxyphenyl)-3-[(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 2394274
1-(2-methoxy-5-methylphenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 6712826
1-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 5332459
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661133
1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 57398965

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea (CID 3927035) is 1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea is CCOc1ccc(C=NNC(=S)Nc2ccccc2OC)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea?
The InChIKey is OLSUVXRJXZCSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-22-14-10-8-13(9-11-14)12-18-20-17(23)19-15-6-4-5-7-16(15)21-2/h4-12H,3H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea?
1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea has a molecular weight of 329.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 3927035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).