1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea

C11H16N2OS — CID 2253001

IUPAC1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
SMILESCOCCNC(=S)Nc1ccccc1C
InChIInChI=1S/C11H16N2OS/c1-9-5-3-4-6-10(9)13-11(15)12-7-8-14-2/h3-6H,7-8H2,1-2H3,(H2,12,13,15)
InChIKeyHLPLPVRBYIPNHE-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.93
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea

1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea (PubChem CID 2253001) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
PubChem CID2253001
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
SMILESCOCCNC(=S)Nc1ccccc1C
InChIInChI=1S/C11H16N2OS/c1-9-5-3-4-6-10(9)13-11(15)12-7-8-14-2/h3-6H,7-8H2,1-2H3,(H2,12,13,15)
InChIKeyHLPLPVRBYIPNHE-UHFFFAOYSA-N
XLogP1.93
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-3-(2-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-methoxyethyl)-3-(2-propylphenyl)thiourea
CID 115579636
1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea
CID 8680475
1-(2-methylphenyl)-3-(2-phenylethylcarbamothioylamino)thiourea
CID 8618240
1-(2,3-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8669095
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea
CID 17285016
1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea
CID 102846832
1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea
CID 19711809
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea
CID 8563922
1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8657463
1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea
CID 115612153
1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea
CID 797624

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea (CID 2253001) is 1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea is COCCNC(=S)Nc1ccccc1C.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea?
The InChIKey is HLPLPVRBYIPNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9-5-3-4-6-10(9)13-11(15)12-7-8-14-2/h3-6H,7-8H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea?
1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea has a molecular weight of 224.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 2253001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).