1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea

C15H15N3O2S — CID 135441799

IUPAC1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea
SMILESCOc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1O
InChIInChI=1S/C15H15N3O2S/c1-20-14-9-11(7-8-13(14)19)10-16-18-15(21)17-12-5-3-2-4-6-12/h2-10,19H,1H3,(H2,17,18,21)/b16-10+
InChIKeyJWLFZGSWRRLBAH-MHWRWJLKSA-N
MW301.37 g/mol
LogP2.72
Rot. Bonds4

About 1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea

1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea (PubChem CID 135441799) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea
PubChem CID135441799
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea
SMILESCOc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1O
InChIInChI=1S/C15H15N3O2S/c1-20-14-9-11(7-8-13(14)19)10-16-18-15(21)17-12-5-3-2-4-6-12/h2-10,19H,1H3,(H2,17,18,21)/b16-10+
InChIKeyJWLFZGSWRRLBAH-MHWRWJLKSA-N
XLogP2.72
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methoxyphenyl)methylideneamino]-3-phenylthiourea 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-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 832833
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-phenylthiourea
CID 136786868
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 135613940
1-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 5417764
1-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 3960208
methyl N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamodithioate
CID 163408586
1-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylthiourea
CID 135552116
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
CID 1191642
2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135679320
2-anilino-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136867320
1-(4-methoxyphenyl)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 3403328
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea?
The IUPAC name of 1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea (CID 135441799) is 1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea.
What is the SMILES notation for 1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea?
The canonical SMILES for 1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea is COc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1O.
What is the InChIKey of 1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea?
The InChIKey is JWLFZGSWRRLBAH-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-20-14-9-11(7-8-13(14)19)10-16-18-15(21)17-12-5-3-2-4-6-12/h2-10,19H,1H3,(H2,17,18,21)/b16-10+.
What are the key properties of 1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea?
1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea has a molecular weight of 301.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea is sourced from PubChem (CID 135441799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).