1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea

C20H26N4OS — CID 6889204

IUPAC1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
SMILESCCN(CC)c1ccc(/C=N/NC(=S)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N4OS/c1-4-24(5-2)18-10-6-17(7-11-18)15-22-23-20(26)21-14-16-8-12-19(25-3)13-9-16/h6-13,15H,4-5,14H2,1-3H3,(H2,21,23,26)/b22-15+
InChIKeyLNWZCAHWHXGGAY-PXLXIMEGSA-N
MW370.52 g/mol
LogP3.54
Rot. Bonds8

About 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea

1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea (PubChem CID 6889204) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
PubChem CID6889204
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
SMILESCCN(CC)c1ccc(/C=N/NC(=S)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N4OS/c1-4-24(5-2)18-10-6-17(7-11-18)15-22-23-20(26)21-14-16-8-12-19(25-3)13-9-16/h6-13,15H,4-5,14H2,1-3H3,(H2,21,23,26)/b22-15+
InChIKeyLNWZCAHWHXGGAY-PXLXIMEGSA-N
XLogP3.54
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.54
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)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea?
The IUPAC name of 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea (CID 6889204) is 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea.
What is the SMILES notation for 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea?
The canonical SMILES for 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea is CCN(CC)c1ccc(/C=N/NC(=S)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea?
The InChIKey is LNWZCAHWHXGGAY-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-4-24(5-2)18-10-6-17(7-11-18)15-22-23-20(26)21-14-16-8-12-19(25-3)13-9-16/h6-13,15H,4-5,14H2,1-3H3,(H2,21,23,26)/b22-15+.
What are the key properties of 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea?
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea has a molecular weight of 370.52 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea is sourced from PubChem (CID 6889204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).