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

C17H19N3O2S — CID 4981057

IUPAC1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
SMILESCOc1cccc(C=NNC(=S)Nc2ccc(C)cc2)c1OC
InChIInChI=1S/C17H19N3O2S/c1-12-7-9-14(10-8-12)19-17(23)20-18-11-13-5-4-6-15(21-2)16(13)22-3/h4-11H,1-3H3,(H2,19,20,23)
InChIKeyMZYUVJZCGJFVIU-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.33
Rot. Bonds5

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

1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea (PubChem CID 4981057) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
PubChem CID4981057
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
SMILESCOc1cccc(C=NNC(=S)Nc2ccc(C)cc2)c1OC
InChIInChI=1S/C17H19N3O2S/c1-12-7-9-14(10-8-12)19-17(23)20-18-11-13-5-4-6-15(21-2)16(13)22-3/h4-11H,1-3H3,(H2,19,20,23)
InChIKeyMZYUVJZCGJFVIU-UHFFFAOYSA-N
XLogP3.33
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.33
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-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)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-[(E)-(3-hydroxy-2-methoxyphenyl)methylideneamino]-3-phenylthiourea
CID 10747561
1-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 5331566
1-(3,4-dimethoxyphenyl)-3-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]thiourea
CID 6079549
1-(4-fluorophenyl)-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
CID 135842072
1-(3,4-dimethoxyphenyl)-3-[(Z)-(3-methoxy-2-propan-2-yloxyphenyl)methylideneamino]thiourea
CID 9216278
1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9175791
1-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 136816674
1-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 135731060
1-(4-chlorophenyl)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]urea
CID 110536875
1-[(2,3-dimethoxyphenyl)methylideneamino]-3-dodecylthiourea
CID 4532382
1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 57398965
1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(2,6-dimethylphenyl)urea
CID 77108051

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea (CID 4981057) is 1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea is COc1cccc(C=NNC(=S)Nc2ccc(C)cc2)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?
The InChIKey is MZYUVJZCGJFVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-7-9-14(10-8-12)19-17(23)20-18-11-13-5-4-6-15(21-2)16(13)22-3/h4-11H,1-3H3,(H2,19,20,23).
What are the key properties of 1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?
1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea has a molecular weight of 329.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 4981057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).