1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea

C18H21N3O2S — CID 4018614

IUPAC1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea
SMILESCOc1cc(C=NNC(=S)Nc2ccc(C)cc2C)cc(OC)c1
InChIInChI=1S/C18H21N3O2S/c1-12-5-6-17(13(2)7-12)20-18(24)21-19-11-14-8-15(22-3)10-16(9-14)23-4/h5-11H,1-4H3,(H2,20,21,24)
InChIKeyZXPMHADLBFYSDY-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.64
Rot. Bonds5

About 1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea

1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea (PubChem CID 4018614) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea
PubChem CID4018614
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea
SMILESCOc1cc(C=NNC(=S)Nc2ccc(C)cc2C)cc(OC)c1
InChIInChI=1S/C18H21N3O2S/c1-12-5-6-17(13(2)7-12)20-18(24)21-19-11-14-8-15(22-3)10-16(9-14)23-4/h5-11H,1-4H3,(H2,20,21,24)
InChIKeyZXPMHADLBFYSDY-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
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-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea
CID 85063930
1-(2-methoxy-5-methylphenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 6712826
1-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3-(2,4-dimethylphenyl)thiourea
CID 18226944
1-[(3,5-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 3582304
N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9179776
1-(anthracen-9-ylmethylideneamino)-3-(2,4-dimethylphenyl)thiourea
CID 4561308
1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea
CID 2424034
1-(2,4-dichlorophenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]thiourea
CID 40571329
4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 4521034
1-[(E)-(4-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 6898031
N-[(2,4-dimethylphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 920780
1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea
CID 7933641

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea (CID 4018614) is 1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea is COc1cc(C=NNC(=S)Nc2ccc(C)cc2C)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea?
The InChIKey is ZXPMHADLBFYSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-5-6-17(13(2)7-12)20-18(24)21-19-11-14-8-15(22-3)10-16(9-14)23-4/h5-11H,1-4H3,(H2,20,21,24).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea?
1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea has a molecular weight of 343.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea is sourced from PubChem (CID 4018614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).