1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

C16H24N4O4S — CID 135521472

IUPAC1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1cc(/C=N/NC(=S)NCCN2CCOCC2)cc(OC)c1O
InChIInChI=1S/C16H24N4O4S/c1-22-13-9-12(10-14(23-2)15(13)21)11-18-19-16(25)17-3-4-20-5-7-24-8-6-20/h9-11,21H,3-8H2,1-2H3,(H2,17,19,25)/b18-11+
InChIKeyQIOKTIVVPAGUHP-WOJGMQOQSA-N
MW368.46 g/mol
LogP0.54
Rot. Bonds7

About 1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 135521472) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID135521472
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1cc(/C=N/NC(=S)NCCN2CCOCC2)cc(OC)c1O
InChIInChI=1S/C16H24N4O4S/c1-22-13-9-12(10-14(23-2)15(13)21)11-18-19-16(25)17-3-4-20-5-7-24-8-6-20/h9-11,21H,3-8H2,1-2H3,(H2,17,19,25)/b18-11+
InChIKeyQIOKTIVVPAGUHP-WOJGMQOQSA-N
XLogP0.54
TPSA87.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)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-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea (CID 135521472) is 1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is COc1cc(/C=N/NC(=S)NCCN2CCOCC2)cc(OC)c1O.
What is the InChIKey of 1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is QIOKTIVVPAGUHP-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-22-13-9-12(10-14(23-2)15(13)21)11-18-19-16(25)17-3-4-20-5-7-24-8-6-20/h9-11,21H,3-8H2,1-2H3,(H2,17,19,25)/b18-11+.
What are the key properties of 1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 368.46 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 135521472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).