1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea

C15H15N3OS — CID 916423

IUPAC1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NN=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C15H15N3OS/c1-11-2-6-13(7-3-11)17-15(20)18-16-10-12-4-8-14(19)9-5-12/h2-10,19H,1H3,(H2,17,18,20)
InChIKeyZFTGSQDGEHIOBY-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.02
Rot. Bonds3

About 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea

1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea (PubChem CID 916423) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
PubChem CID916423
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NN=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C15H15N3OS/c1-11-2-6-13(7-3-11)17-15(20)18-16-10-12-4-8-14(19)9-5-12/h2-10,19H,1H3,(H2,17,18,20)
InChIKeyZFTGSQDGEHIOBY-UHFFFAOYSA-N
XLogP3.02
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide
CID 143848723
1-[(E)-[4-(4-bromophenoxy)phenyl]methylideneamino]-3-(4-methylphenyl)thiourea
CID 71698871
1-(4-bromophenyl)-3-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]thiourea
CID 56970998
1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 832833
1-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 5417764
1-(3-chlorophenyl)-3-[(4-methylphenyl)methylideneamino]thiourea
CID 75087498
1-tert-butyl-3-[(4-hydroxyphenyl)methylideneamino]thiourea
CID 2725308
2-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 3247784
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea
CID 909294
1-[(E)-(4-ethylphenyl)methylideneamino]-3-phenylthiourea
CID 7264044
[(4-hydroxyphenyl)methylideneamino]carbamodithioic acid
CID 716613

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea (CID 916423) is 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)NN=Cc2ccc(O)cc2)cc1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?
The InChIKey is ZFTGSQDGEHIOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11-2-6-13(7-3-11)17-15(20)18-16-10-12-4-8-14(19)9-5-12/h2-10,19H,1H3,(H2,17,18,20).
What are the key properties of 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?
1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea has a molecular weight of 285.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 916423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).