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

C18H21N3O2S — CID 6132692

IUPAC1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea
SMILESCOc1ccc(/C(C)=N\NC(=S)Nc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H21N3O2S/c1-12-5-7-14(8-6-12)19-18(24)21-20-13(2)16-10-9-15(22-3)11-17(16)23-4/h5-11H,1-4H3,(H2,19,21,24)/b20-13-
InChIKeyIOTNYHXDJYOSQW-MOSHPQCFSA-N
MW343.45 g/mol
LogP3.72
Rot. Bonds5

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

1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea (PubChem CID 6132692) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea
PubChem CID6132692
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea
SMILESCOc1ccc(/C(C)=N\NC(=S)Nc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H21N3O2S/c1-12-5-7-14(8-6-12)19-18(24)21-20-13(2)16-10-9-15(22-3)11-17(16)23-4/h5-11H,1-4H3,(H2,19,21,24)/b20-13-
InChIKeyIOTNYHXDJYOSQW-MOSHPQCFSA-N
XLogP3.72
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.72
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-(2,6-dimethylphenyl)thiourea
CID 7930426
1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea
CID 9216367
1-(3,4-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethylideneamino]thiourea
CID 3327700
1-[(E)-1-(2-aminophenyl)ethylideneamino]-3-(4-methoxyphenyl)thiourea
CID 162665226
N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide
CID 17274760
1-[(E)-1-[4-[(4-methoxyphenyl)carbamothioylamino]phenyl]ethylideneamino]-3-(4-methylphenyl)urea
CID 177439250
1-(4-methylphenyl)-3-(propan-2-ylideneamino)thiourea
CID 904468
4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 3380721
1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 135983097
1-(2,4-dimethoxyphenyl)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]ethanimine
CID 1032559
1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea
CID 789157
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea (CID 6132692) is 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea is COc1ccc(/C(C)=N\NC(=S)Nc2ccc(C)cc2)c(OC)c1.
What is the InChIKey of 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea?
The InChIKey is IOTNYHXDJYOSQW-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-5-7-14(8-6-12)19-18(24)21-20-13(2)16-10-9-15(22-3)11-17(16)23-4/h5-11H,1-4H3,(H2,19,21,24)/b20-13-.
What are the key properties of 1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea?
1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea has a molecular weight of 343.45 g/mol, XLogP of 3.72, 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-(4-methylphenyl)thiourea is sourced from PubChem (CID 6132692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).