1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea

C21H20N4OS — CID 17299667

IUPAC1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea
SMILESCOc1ccc(C)cc1NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C21H20N4OS/c1-15-8-13-20(26-2)19(14-15)23-21(27)22-16-9-11-18(12-10-16)25-24-17-6-4-3-5-7-17/h3-14H,1-2H3,(H2,22,23,27)/b25-24+
InChIKeyGZLSLICTKYEKJU-OCOZRVBESA-N
MW376.49 g/mol
LogP6.23
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea

1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea (PubChem CID 17299667) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea
PubChem CID17299667
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea
SMILESCOc1ccc(C)cc1NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C21H20N4OS/c1-15-8-13-20(26-2)19(14-15)23-21(27)22-16-9-11-18(12-10-16)25-24-17-6-4-3-5-7-17/h3-14H,1-2H3,(H2,22,23,27)/b25-24+
InChIKeyGZLSLICTKYEKJU-OCOZRVBESA-N
XLogP6.23
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.49
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea
CID 19680097
1-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 136689084
1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea
CID 17264293
1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea
CID 971903
1-(2,3-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 971408
1-(2-methoxy-5-methylphenyl)-3-(1,2-oxazol-3-yl)thiourea
CID 19686879
1-(2-methoxy-5-methylphenyl)-3-(4-phenylbutyl)thiourea
CID 19650169
1-(2,5-dimethylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679014
1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea
CID 5048508
1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 17283684
1-(3-chloro-2-fluorophenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 53488642
1,3-bis(2-methoxy-4-methylphenyl)thiourea
CID 17370539

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea (CID 17299667) is 1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea is COc1ccc(C)cc1NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea?
The InChIKey is GZLSLICTKYEKJU-OCOZRVBESA-N. The full InChI is InChI=1S/C21H20N4OS/c1-15-8-13-20(26-2)19(14-15)23-21(27)22-16-9-11-18(12-10-16)25-24-17-6-4-3-5-7-17/h3-14H,1-2H3,(H2,22,23,27)/b25-24+.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea?
1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea has a molecular weight of 376.49 g/mol, XLogP of 6.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea is sourced from PubChem (CID 17299667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).