1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea

C22H21N3O2S — CID 3760032

IUPAC1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea
SMILESCOc1ccc(C=NN(C(=S)Nc2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H21N3O2S/c1-26-20-14-13-17(21(15-20)27-2)16-23-25(19-11-7-4-8-12-19)22(28)24-18-9-5-3-6-10-18/h3-16H,1-2H3,(H,24,28)
InChIKeyVQNUMCKMGSINJV-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.94
Rot. Bonds6

About 1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea

1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea (PubChem CID 3760032) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea
PubChem CID3760032
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea
SMILESCOc1ccc(C=NN(C(=S)Nc2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H21N3O2S/c1-26-20-14-13-17(21(15-20)27-2)16-23-25(19-11-7-4-8-12-19)22(28)24-18-9-5-3-6-10-18/h3-16H,1-2H3,(H,24,28)
InChIKeyVQNUMCKMGSINJV-UHFFFAOYSA-N
XLogP4.94
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
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-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea 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-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline
CID 6047667
2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide
CID 9446851
1-[(E)-phenacylideneamino]-1,3-diphenylthiourea
CID 15176490
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6046280
1,3-diphenyl-1-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 10524960
N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837790
1-(4-methoxyphenyl)-1-methyl-3-phenylthiourea
CID 116508176
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 690776
3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841501

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea (CID 3760032) is 1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea is COc1ccc(C=NN(C(=S)Nc2ccccc2)c2ccccc2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea?
The InChIKey is VQNUMCKMGSINJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-26-20-14-13-17(21(15-20)27-2)16-23-25(19-11-7-4-8-12-19)22(28)24-18-9-5-3-6-10-18/h3-16H,1-2H3,(H,24,28).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea?
1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea has a molecular weight of 391.50 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea is sourced from PubChem (CID 3760032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).