1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea

C15H16N2O2S — CID 976451

IUPAC1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C15H16N2O2S/c1-18-13-8-6-11(7-9-13)16-15(20)17-12-4-3-5-14(10-12)19-2/h3-10H,1-2H3,(H2,16,17,20)
InChIKeyRAINPZLSOSMKNR-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.51
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea (PubChem CID 976451) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
PubChem CID976451
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C15H16N2O2S/c1-18-13-8-6-11(7-9-13)16-15(20)17-12-4-3-5-14(10-12)19-2/h3-10H,1-2H3,(H2,16,17,20)
InChIKeyRAINPZLSOSMKNR-UHFFFAOYSA-N
XLogP3.51
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 1288991
1-[4-(dimethylamino)phenyl]-3-(3-methoxyphenyl)thiourea
CID 976494
1-(3-iodophenyl)-3-(4-methoxyphenyl)thiourea
CID 139202532
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(4-iodo-3-methylphenyl)-3-(3-methoxyphenyl)thiourea
CID 23793872
1-(3-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 53488765
1-(4-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)thiourea
CID 19687608
1-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 976911
ethyl 4-[(3-methoxyphenyl)carbamothioylamino]benzoate
CID 976671
1-(4-methoxyphenyl)-3-pyridin-4-ylthiourea
CID 12969522
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea
CID 100579625

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea (CID 976451) is 1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea is COc1ccc(NC(=S)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea?
The InChIKey is RAINPZLSOSMKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-18-13-8-6-11(7-9-13)16-15(20)17-12-4-3-5-14(10-12)19-2/h3-10H,1-2H3,(H2,16,17,20).
What are the key properties of 1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea?
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea has a molecular weight of 288.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea is sourced from PubChem (CID 976451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).