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

C15H15N3O2S — CID 135612423

IUPAC1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C15H15N3O2S/c1-20-13-8-6-12(7-9-13)17-15(21)18-16-10-11-4-2-3-5-14(11)19/h2-10,19H,1H3,(H2,17,18,21)/b16-10+
InChIKeyHSSXHRDCSUFGJQ-MHWRWJLKSA-N
MW301.37 g/mol
LogP2.72
Rot. Bonds4

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

1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea (PubChem CID 135612423) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea
PubChem CID135612423
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C15H15N3O2S/c1-20-13-8-6-12(7-9-13)17-15(21)18-16-10-11-4-2-3-5-14(11)19/h2-10,19H,1H3,(H2,17,18,21)/b16-10+
InChIKeyHSSXHRDCSUFGJQ-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_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
4-Methoxybenzaldehyde N-phenylthiosemicarbazone
CID 9554711
3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol
CID 660816
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(2-methylphenyl)thiourea
CID 135676221
1-(4-Fluorophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 838380
2-{4-[2-(methyloxy)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}phenol
CID 864381
1-(4-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 9714971
4-Hydroxy-3-methoxybenzaldehyde N-phenylthiosemicarbazone
CID 135441799
2-Hydroxy-3-methoxybenzaldehyde N-phenylthiosemicarbazone
CID 135480447
4-Hydroxybenzaldehyde N-phenylthiosemicarbazone
CID 135560361
N-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 2951269
4-[2-(Anilinocarbonothioyl)carbonohydrazonoyl]phenyl acetate
CID 5349230

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea?
The IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea (CID 135612423) is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea is COc1ccc(NC(=S)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea?
The InChIKey is HSSXHRDCSUFGJQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-20-13-8-6-12(7-9-13)17-15(21)18-16-10-11-4-2-3-5-14(11)19/h2-10,19H,1H3,(H2,17,18,21)/b16-10+.
What are the key properties of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea?
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea 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)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea is sourced from PubChem (CID 135612423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).