1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea

C11H15N3OS — CID 135410212

IUPAC1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea
SMILESCCNC(=S)N/N=C(\C)c1ccccc1O
InChIInChI=1S/C11H15N3OS/c1-3-12-11(16)14-13-8(2)9-6-4-5-7-10(9)15/h4-7,15H,3H2,1-2H3,(H2,12,14,16)/b13-8+
InChIKeyNNMBWANWUXJDMC-MDWZMJQESA-N
MW237.33 g/mol
LogP1.60
Rot. Bonds3

About 1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea

1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea (PubChem CID 135410212) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea
PubChem CID135410212
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea
SMILESCCNC(=S)N/N=C(\C)c1ccccc1O
InChIInChI=1S/C11H15N3OS/c1-3-12-11(16)14-13-8(2)9-6-4-5-7-10(9)15/h4-7,15H,3H2,1-2H3,(H2,12,14,16)/b13-8+
InChIKeyNNMBWANWUXJDMC-MDWZMJQESA-N
XLogP1.60
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea?
The IUPAC name of 1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea (CID 135410212) is 1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea.
What is the SMILES notation for 1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea?
The canonical SMILES for 1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea is CCNC(=S)N/N=C(\C)c1ccccc1O.
What is the InChIKey of 1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea?
The InChIKey is NNMBWANWUXJDMC-MDWZMJQESA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-12-11(16)14-13-8(2)9-6-4-5-7-10(9)15/h4-7,15H,3H2,1-2H3,(H2,12,14,16)/b13-8+.
What are the key properties of 1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea?
1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea has a molecular weight of 237.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 135410212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).