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

C18H21N3O3S — CID 9216367

IUPAC1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea
SMILESCOc1ccc(NC(=S)N/N=C(/C)c2ccccc2OC)cc1OC
InChIInChI=1S/C18H21N3O3S/c1-12(14-7-5-6-8-15(14)22-2)20-21-18(25)19-13-9-10-16(23-3)17(11-13)24-4/h5-11H,1-4H3,(H2,19,21,25)/b20-12-
InChIKeyVIKUEYKYAWDMLG-NDENLUEZSA-N
MW359.45 g/mol
LogP3.42
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea (PubChem CID 9216367) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea
PubChem CID9216367
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea
SMILESCOc1ccc(NC(=S)N/N=C(/C)c2ccccc2OC)cc1OC
InChIInChI=1S/C18H21N3O3S/c1-12(14-7-5-6-8-15(14)22-2)20-21-18(25)19-13-9-10-16(23-3)17(11-13)24-4/h5-11H,1-4H3,(H2,19,21,25)/b20-12-
InChIKeyVIKUEYKYAWDMLG-NDENLUEZSA-N
XLogP3.42
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.42
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'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethylideneamino]thiourea
CID 3327700
1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea
CID 4317161
1-(3,4-dimethoxyphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea
CID 6035476
1-(3,4-dimethoxyphenyl)-3-[(Z)-1-phenylpropylideneamino]thiourea
CID 9216358
1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 135983097
1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea
CID 6132692
1-(3,4-dimethoxyphenyl)-3-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]thiourea
CID 135846458
1-[(E)-1-(2-aminophenyl)ethylideneamino]-3-(4-methoxyphenyl)thiourea
CID 162665226
1-(3,4-dimethoxyphenyl)-3-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]thiourea
CID 9216221
1-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 3960208
1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea
CID 7930426
N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea (CID 9216367) is 1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea is COc1ccc(NC(=S)N/N=C(/C)c2ccccc2OC)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea?
The InChIKey is VIKUEYKYAWDMLG-NDENLUEZSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12(14-7-5-6-8-15(14)22-2)20-21-18(25)19-13-9-10-16(23-3)17(11-13)24-4/h5-11H,1-4H3,(H2,19,21,25)/b20-12-.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea?
1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea has a molecular weight of 359.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 9216367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).