1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea

C19H23N3O2S — CID 7930426

IUPAC1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea
SMILESCOc1ccc(/C(C)=N\NC(=S)Nc2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C19H23N3O2S/c1-12-7-6-8-13(2)18(12)20-19(25)22-21-14(3)16-10-9-15(23-4)11-17(16)24-5/h6-11H,1-5H3,(H2,20,22,25)/b21-14-
InChIKeyMHLXBZBJMGILIN-STZFKDTASA-N
MW357.48 g/mol
LogP4.03
Rot. Bonds5

About 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea

1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea (PubChem CID 7930426) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea
PubChem CID7930426
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea
SMILESCOc1ccc(/C(C)=N\NC(=S)Nc2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C19H23N3O2S/c1-12-7-6-8-13(2)18(12)20-19(25)22-21-14(3)16-10-9-15(23-4)11-17(16)24-5/h6-11H,1-5H3,(H2,20,22,25)/b21-14-
InChIKeyMHLXBZBJMGILIN-STZFKDTASA-N
XLogP4.03
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.03
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'}

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Related Compounds

1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea
CID 6132692
1-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(2,6-dimethylphenyl)thiourea
CID 6104719
1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea
CID 9216367
1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 135983097
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316157
1-(2,4-dimethoxyphenyl)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]ethanimine
CID 1032559
1-(3,4-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethylideneamino]thiourea
CID 3327700
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1418692
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid
CID 171151393
1-benzyl-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]thiourea
CID 4066207

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea?
The IUPAC name of 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea (CID 7930426) is 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea.
What is the SMILES notation for 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea?
The canonical SMILES for 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea is COc1ccc(/C(C)=N\NC(=S)Nc2c(C)cccc2C)c(OC)c1.
What is the InChIKey of 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea?
The InChIKey is MHLXBZBJMGILIN-STZFKDTASA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12-7-6-8-13(2)18(12)20-19(25)22-21-14(3)16-10-9-15(23-4)11-17(16)24-5/h6-11H,1-5H3,(H2,20,22,25)/b21-14-.
What are the key properties of 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea?
1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea has a molecular weight of 357.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea is sourced from PubChem (CID 7930426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).