1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea

C15H15N3OS — CID 135687152

IUPAC1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C15H15N3OS/c1-11-6-8-13(9-7-11)17-15(20)18-16-10-12-4-2-3-5-14(12)19/h2-10,19H,1H3,(H2,17,18,20)/b16-10+
InChIKeyOVHMKBPLRDYIKQ-MHWRWJLKSA-N
MW285.37 g/mol
LogP3.02
Rot. Bonds3

About 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea

1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea (PubChem CID 135687152) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
PubChem CID135687152
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C15H15N3OS/c1-11-6-8-13(9-7-11)17-15(20)18-16-10-12-4-2-3-5-14(12)19/h2-10,19H,1H3,(H2,17,18,20)/b16-10+
InChIKeyOVHMKBPLRDYIKQ-MHWRWJLKSA-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_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'}

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Related Compounds

Hydrazinecarbothioamide, 2-((2-hydroxyphenyl)methylene)-N-phenyl-
CID 135434847
2-Hydroxy-1-naphthaldehyde N-phenylthiosemicarbazone
CID 135491240
4-Methoxybenzaldehyde N-phenylthiosemicarbazone
CID 9554711
1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea
CID 135519941
2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione
CID 704088
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(2-methylphenyl)thiourea
CID 135676221
1-(4-Fluorophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 838380
[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea
CID 135435710
2-Hydroxy-3-methoxybenzaldehyde N-phenylthiosemicarbazone
CID 135480447
4-Hydroxybenzaldehyde N-phenylthiosemicarbazone
CID 135560361
2-Hydroxybenzaldehyde N-(3-chlorophenyl)thiosemicarbazone
CID 135473135
1-[(2,4-Dihydroxyphenyl)methylideneamino]-3-(4-fluorophenyl)thiourea
CID 3372994

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea (CID 135687152) is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?
The InChIKey is OVHMKBPLRDYIKQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11-6-8-13(9-7-11)17-15(20)18-16-10-12-4-2-3-5-14(12)19/h2-10,19H,1H3,(H2,17,18,20)/b16-10+.
What are the key properties of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?
1-[(E)-(2-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-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 135687152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).