1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea

C10H13N3OS — CID 135474199

IUPAC1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea
SMILESCNC(=S)N/N=C(\C)c1ccccc1O
InChIInChI=1S/C10H13N3OS/c1-7(12-13-10(15)11-2)8-5-3-4-6-9(8)14/h3-6,14H,1-2H3,(H2,11,13,15)/b12-7+
InChIKeyOACONCBSYPPRCR-KPKJPENVSA-N
MW223.30 g/mol
LogP1.21
Rot. Bonds2

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

1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea (PubChem CID 135474199) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea.

Molecular Properties

Compound Name1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea
PubChem CID135474199
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea
SMILESCNC(=S)N/N=C(\C)c1ccccc1O
InChIInChI=1S/C10H13N3OS/c1-7(12-13-10(15)11-2)8-5-3-4-6-9(8)14/h3-6,14H,1-2H3,(H2,11,13,15)/b12-7+
InChIKeyOACONCBSYPPRCR-KPKJPENVSA-N
XLogP1.21
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.21
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-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea 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-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea?
The IUPAC name of 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea (CID 135474199) is 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea.
What is the SMILES notation for 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea?
The canonical SMILES for 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea is CNC(=S)N/N=C(\C)c1ccccc1O.
What is the InChIKey of 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea?
The InChIKey is OACONCBSYPPRCR-KPKJPENVSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(12-13-10(15)11-2)8-5-3-4-6-9(8)14/h3-6,14H,1-2H3,(H2,11,13,15)/b12-7+.
What are the key properties of 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea?
1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea has a molecular weight of 223.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-methylthiourea is sourced from PubChem (CID 135474199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).