1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea

C20H26N2OS — CID 17298109

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea
SMILESCOc1ccc(C(C)(C)C)cc1NC(=S)Nc1cc(C)cc(C)c1
InChIInChI=1S/C20H26N2OS/c1-13-9-14(2)11-16(10-13)21-19(24)22-17-12-15(20(3,4)5)7-8-18(17)23-6/h7-12H,1-6H3,(H2,21,22,24)
InChIKeyUSUABNLAEZEYBF-UHFFFAOYSA-N
MW342.51 g/mol
LogP5.42
Rot. Bonds3

About 1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea

1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea (PubChem CID 17298109) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea
PubChem CID17298109
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea
SMILESCOc1ccc(C(C)(C)C)cc1NC(=S)Nc1cc(C)cc(C)c1
InChIInChI=1S/C20H26N2OS/c1-13-9-14(2)11-16(10-13)21-19(24)22-17-12-15(20(3,4)5)7-8-18(17)23-6/h7-12H,1-6H3,(H2,21,22,24)
InChIKeyUSUABNLAEZEYBF-UHFFFAOYSA-N
XLogP5.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 2209557
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5197935
1-(3,5-dimethylphenyl)-3-(2-methoxydibenzofuran-3-yl)thiourea
CID 17267872
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1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea
CID 17299667
1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea
CID 17264293
[2-methoxy-5-(trifluoromethyl)phenyl]thiourea
CID 75176632
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea (CID 17298109) is 1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea is COc1ccc(C(C)(C)C)cc1NC(=S)Nc1cc(C)cc(C)c1.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea?
The InChIKey is USUABNLAEZEYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-13-9-14(2)11-16(10-13)21-19(24)22-17-12-15(20(3,4)5)7-8-18(17)23-6/h7-12H,1-6H3,(H2,21,22,24).
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea?
1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea has a molecular weight of 342.51 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethylphenyl)thiourea is sourced from PubChem (CID 17298109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).