1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea

C11H16N2O2S — CID 3896761

IUPAC1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea
SMILESCOC(NC(=S)Nc1ccc(C)cc1)OC
InChIInChI=1S/C11H16N2O2S/c1-8-4-6-9(7-5-8)12-10(16)13-11(14-2)15-3/h4-7,11H,1-3H3,(H2,12,13,16)
InChIKeyKDBDZSYWJWGUSW-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.86
Rot. Bonds4

About 1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea

1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea (PubChem CID 3896761) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea
PubChem CID3896761
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea
SMILESCOC(NC(=S)Nc1ccc(C)cc1)OC
InChIInChI=1S/C11H16N2O2S/c1-8-4-6-9(7-5-8)12-10(16)13-11(14-2)15-3/h4-7,11H,1-3H3,(H2,12,13,16)
InChIKeyKDBDZSYWJWGUSW-UHFFFAOYSA-N
XLogP1.86
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethoxyethyl)-3-(4-methylphenyl)thiourea
CID 881834
1-[(2R)-butan-2-yl]-3-(4-methylphenyl)thiourea
CID 8619656
1-hydroxy-3-(4-methylphenyl)thiourea
CID 87306500
1-(4-methoxyphenyl)-3-[(2R)-1-(4-methylphenoxy)propan-2-yl]thiourea
CID 100707948
1-propan-2-yl-3-[4-(propan-2-ylcarbamothioylamino)phenyl]thiourea
CID 163289921
1-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)thiourea
CID 78752939
1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea
CID 100751024
1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea
CID 133217120
1-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methylphenyl)thiourea
CID 8654833
1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea
CID 162350823
1-methyl-3-[(4-methylphenyl)carbamothioylamino]thiourea
CID 8001100
1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea
CID 170788068

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea (CID 3896761) is 1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea is COC(NC(=S)Nc1ccc(C)cc1)OC.
What is the InChIKey of 1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea?
The InChIKey is KDBDZSYWJWGUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-4-6-9(7-5-8)12-10(16)13-11(14-2)15-3/h4-7,11H,1-3H3,(H2,12,13,16).
What are the key properties of 1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea?
1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea has a molecular weight of 240.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 3896761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).