1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea

C17H18N4O2S — CID 712024

IUPAC1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea
SMILESCOc1ccc(C=NNC(=S)NN=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N4O2S/c1-22-15-7-3-13(4-8-15)11-18-20-17(24)21-19-12-14-5-9-16(23-2)10-6-14/h3-12H,1-2H3,(H2,20,21,24)
InChIKeyIFRJZSUFZHHXKD-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.54
Rot. Bonds6

About 1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea

1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea (PubChem CID 712024) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea
PubChem CID712024
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea
SMILESCOc1ccc(C=NNC(=S)NN=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N4O2S/c1-22-15-7-3-13(4-8-15)11-18-20-17(24)21-19-12-14-5-9-16(23-2)10-6-14/h3-12H,1-2H3,(H2,20,21,24)
InChIKeyIFRJZSUFZHHXKD-UHFFFAOYSA-N
XLogP2.54
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1,3-bis[(4-methoxyphenyl)methylideneamino]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-amino-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 2728543
1-butyl-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 3752376
1-[(4-methoxyphenyl)methylideneamino]-3-(3-methoxypropyl)thiourea
CID 2803675
1-[(E)-(4-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 6898031
1-(2-methoxy-5-methylphenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 6712826
1-(4-cyanophenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 138376439
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N-[(E)-(4-chlorophenyl)methylideneamino]-4-methoxybenzenecarbothioamide
CID 170856094
1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 75087460
1-(2,4-dichlorophenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]thiourea
CID 40571329
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
[4-[(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 5006499

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea (CID 712024) is 1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea is COc1ccc(C=NNC(=S)NN=Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea?
The InChIKey is IFRJZSUFZHHXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-22-15-7-3-13(4-8-15)11-18-20-17(24)21-19-12-14-5-9-16(23-2)10-6-14/h3-12H,1-2H3,(H2,20,21,24).
What are the key properties of 1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea?
1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea has a molecular weight of 342.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 712024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).