1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea

C16H19N3OS — CID 2388700

IUPAC1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea
SMILESCOCCNC(=S)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-20-13-12-17-16(21)18-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,17,18,21)
InChIKeyZTUBIIWVFNNHTK-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.85
Rot. Bonds6

About 1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea

1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea (PubChem CID 2388700) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea
PubChem CID2388700
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea
SMILESCOCCNC(=S)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-20-13-12-17-16(21)18-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,17,18,21)
InChIKeyZTUBIIWVFNNHTK-UHFFFAOYSA-N
XLogP2.85
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-3-(N-phenylanilino)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

N1-[4-(2,6-dimethylmorpholino)phenyl]-2-(2-cyanoethyl)hydrazine-1-carbothioamide
CID 2824632
3-(2-Methoxyethyl)-1-phenyl-1-propan-2-ylthiourea
CID 5176938
1-cyclohexyl-3-(N-phenylanilino)thiourea
CID 2422741
1-(3-Methoxypropyl)-3-(phenylcarbamothioylamino)thiourea
CID 2803658
1-ethyl-3-(N-phenylanilino)thiourea
CID 2373994
1-methyl-3-(N-phenylanilino)thiourea
CID 2423469
1-butyl-3-(N-phenylanilino)thiourea
CID 2470910
1-(3,5-Difluorophenyl)-3-morpholin-4-ylthiourea
CID 2991484
1-(4-Anilinophenyl)-3-morpholin-4-ylthiourea
CID 942782
N-allyl-2,2-diphenylhydrazinecarbothioamide
CID 2208076
4-[4-(2,6-Dimethyl-morpholin4-yl)-phenyl]-3-thiosemicarbazide
CID 2824631
1-(N-phenylanilino)-3-propan-2-ylthiourea
CID 4567044

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea (CID 2388700) is 1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea is COCCNC(=S)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea?
The InChIKey is ZTUBIIWVFNNHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-20-13-12-17-16(21)18-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,17,18,21).
What are the key properties of 1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea?
1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea has a molecular weight of 301.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea is sourced from PubChem (CID 2388700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).